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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2012-09-11 17:30:55 UTC

Update Date

2022-09-22 18:34:56 UTC

HMDB ID

HMDB0029521

Secondary Accession Numbers

HMDB29521

Metabolite Identification

Common Name

Norizalpinin

Description

Norizalpinin, also known as teptochrysin, belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. Thus, norizalpinin is considered to be a flavonoid. Norizalpinin is found, on average, in the highest concentration within mexican oreganos (Lippia graveolens). Norizalpinin has also been detected, but not quantified in, several different foods, such as cloudberries (Rubus chamaemorus), yellow zucchinis (Cucurbita pepo var. cylindrica), tea leaf willows (Salix pulchra), common thymes (Thymus vulgaris), and pigeon peas (Cajanus cajan). This could make norizalpinin a potential biomarker for the consumption of these foods. Norizalpinin is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on Norizalpinin.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0029521
     RDKit          3D
Norizalpinin
 30 32  0  0  0  0  0  0  0  0999 V2000
   -1.3737   -3.0100   -0.7570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517   -1.8444   -0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3454   -1.5081   -0.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1614   -2.5178   -0.8340 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7508   -0.2472   -0.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1252    0.2461   -0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1884   -0.2470   -0.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4684    0.2809   -0.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6633    1.3173    0.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6078    1.8461    0.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3747    1.3194    0.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2185    0.6116    0.1530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4828    0.3513    0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4038    1.3144    0.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7493    1.0708    0.6056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6488    2.0887    0.9742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2299   -0.1714    0.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3226   -1.1987   -0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8182   -2.4229   -0.3705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9835   -0.9209   -0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0844   -2.6382   -0.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0694   -1.0130   -1.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2988   -0.1497   -1.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6668    1.7269    0.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7523    2.6691    1.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5447    1.7375    1.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0578    2.3052    0.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0328    2.6773    0.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2752   -0.4232    0.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4532   -3.2502   -0.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  5 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20  2  1  0
 11  6  1  0
 20 13  1  0
  4 21  1  0
  7 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 14 27  1  0
 16 28  1  0
 17 29  1  0
 19 30  1  0
M  END


  Mrv1652309042000362D          

 20 22  0  0  0  0            999 V2000
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  2  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15  8  1  0  0  0  0
 15 14  2  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18 13  2  0  0  0  0
 19 14  1  0  0  0  0
 20 11  1  0  0  0  0
 20 15  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029521

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=CC=C2)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H

> <INCHI_KEY>
VCCRNZQBSJXYJD-UHFFFAOYSA-N

> <FORMULA>
C15H10O5

> <MOLECULAR_WEIGHT>
270.2369

> <EXACT_MASS>
270.05282343

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
26.540984943508562

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3,5,7-trihydroxy-2-phenyl-4H-chromen-4-one

> <ALOGPS_LOGP>
2.39

> <JCHEM_LOGP>
2.7634301073333334

> <ALOGPS_LOGS>
-3.36

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.955603317080702

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.383248543296597

> <JCHEM_PKA_STRONGEST_BASIC>
-3.877672895331391

> <JCHEM_POLAR_SURFACE_AREA>
86.99000000000001

> <JCHEM_REFRACTIVITY>
72.9004

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.17e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
galangin

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029521
     RDKit          3D
Norizalpinin
 30 32  0  0  0  0  0  0  0  0999 V2000
   -1.3737   -3.0100   -0.7570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517   -1.8444   -0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3454   -1.5081   -0.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1614   -2.5178   -0.8340 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7508   -0.2472   -0.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1252    0.2461   -0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1884   -0.2470   -0.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4684    0.2809   -0.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6633    1.3173    0.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6078    1.8461    0.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3747    1.3194    0.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2185    0.6116    0.1530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4828    0.3513    0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4038    1.3144    0.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7493    1.0708    0.6056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6488    2.0887    0.9742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2299   -0.1714    0.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3226   -1.1987   -0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8182   -2.4229   -0.3705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9835   -0.9209   -0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0844   -2.6382   -0.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0694   -1.0130   -1.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2988   -0.1497   -1.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6668    1.7269    0.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7523    2.6691    1.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5447    1.7375    1.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0578    2.3052    0.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0328    2.6773    0.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2752   -0.4232    0.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4532   -3.2502   -0.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  5 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20  2  1  0
 11  6  1  0
 20 13  1  0
  4 21  1  0
  7 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 14 27  1  0
 16 28  1  0
 17 29  1  0
 19 30  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
CONECT    1    2    3                                                       
CONECT    2    1    4                                                       
CONECT    3    1    5                                                       
CONECT    4    2    8                                                       
CONECT    5    3    8                                                       
CONECT    6    9   10                                                       
CONECT    7    9   11                                                       
CONECT    8    4    5   15                                                  
CONECT    9    6    7   16                                                  
CONECT   10    6   12   17                                                  
CONECT   11    7   12   20                                                  
CONECT   12   10   11   13                                                  
CONECT   13   12   14   18                                                  
CONECT   14   13   15   19                                                  
CONECT   15    8   14   20                                                  
CONECT   16    9                                                            
CONECT   17   10                                                            
CONECT   18   13                                                            
CONECT   19   14                                                            
CONECT   20   11   15                                                       
MASTER        0    0    0    0    0    0    0    0   20    0   44    0
END

COMPND    HMDB0029521
HETATM    1  O1  UNL     1      -1.374  -3.010  -0.757  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.052  -1.844  -0.459  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.345  -1.508  -0.491  1.00  0.00           C  
HETATM    4  O2  UNL     1       1.161  -2.518  -0.834  1.00  0.00           O  
HETATM    5  C3  UNL     1       0.751  -0.247  -0.178  1.00  0.00           C  
HETATM    6  C4  UNL     1       2.125   0.246  -0.165  1.00  0.00           C  
HETATM    7  C5  UNL     1       3.188  -0.247  -0.845  1.00  0.00           C  
HETATM    8  C6  UNL     1       4.468   0.281  -0.661  1.00  0.00           C  
HETATM    9  C7  UNL     1       4.663   1.317   0.219  1.00  0.00           C  
HETATM   10  C8  UNL     1       3.608   1.846   0.926  1.00  0.00           C  
HETATM   11  C9  UNL     1       2.375   1.319   0.734  1.00  0.00           C  
HETATM   12  O3  UNL     1      -0.218   0.612   0.153  1.00  0.00           O  
HETATM   13  C10 UNL     1      -1.483   0.351   0.196  1.00  0.00           C  
HETATM   14  C11 UNL     1      -2.404   1.314   0.551  1.00  0.00           C  
HETATM   15  C12 UNL     1      -3.749   1.071   0.606  1.00  0.00           C  
HETATM   16  O4  UNL     1      -4.649   2.089   0.974  1.00  0.00           O  
HETATM   17  C13 UNL     1      -4.230  -0.171   0.300  1.00  0.00           C  
HETATM   18  C14 UNL     1      -3.323  -1.199  -0.072  1.00  0.00           C  
HETATM   19  O5  UNL     1      -3.818  -2.423  -0.371  1.00  0.00           O  
HETATM   20  C15 UNL     1      -1.983  -0.921  -0.116  1.00  0.00           C  
HETATM   21  H1  UNL     1       2.084  -2.638  -0.901  1.00  0.00           H  
HETATM   22  H2  UNL     1       3.069  -1.013  -1.575  1.00  0.00           H  
HETATM   23  H3  UNL     1       5.299  -0.150  -1.231  1.00  0.00           H  
HETATM   24  H4  UNL     1       5.667   1.727   0.359  1.00  0.00           H  
HETATM   25  H5  UNL     1       3.752   2.669   1.626  1.00  0.00           H  
HETATM   26  H6  UNL     1       1.545   1.738   1.293  1.00  0.00           H  
HETATM   27  H7  UNL     1      -2.058   2.305   0.798  1.00  0.00           H  
HETATM   28  H8  UNL     1      -5.033   2.677   0.232  1.00  0.00           H  
HETATM   29  H9  UNL     1      -5.275  -0.423   0.325  1.00  0.00           H  
HETATM   30  H10 UNL     1      -3.453  -3.250  -0.637  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   20
CONECT    3    4    5    5
CONECT    4   21
CONECT    5    6   12
CONECT    6    7    7   11
CONECT    7    8   22
CONECT    8    9    9   23
CONECT    9   10   24
CONECT   10   11   11   25
CONECT   11   26
CONECT   12   13
CONECT   13   14   14   20
CONECT   14   15   27
CONECT   15   16   17   17
CONECT   16   28
CONECT   17   18   29
CONECT   18   19   20   20
CONECT   19   30
END

HMDB0029521
     RDKit          3D
Norizalpinin
 30 32  0  0  0  0  0  0  0  0999 V2000
   -1.3737   -3.0100   -0.7570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517   -1.8444   -0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3454   -1.5081   -0.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1614   -2.5178   -0.8340 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7508   -0.2472   -0.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1252    0.2461   -0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1884   -0.2470   -0.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4684    0.2809   -0.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6633    1.3173    0.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6078    1.8461    0.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3747    1.3194    0.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2185    0.6116    0.1530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4828    0.3513    0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4038    1.3144    0.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7493    1.0708    0.6056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6488    2.0887    0.9742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2299   -0.1714    0.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3226   -1.1987   -0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8182   -2.4229   -0.3705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9835   -0.9209   -0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0844   -2.6382   -0.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0694   -1.0130   -1.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2988   -0.1497   -1.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6668    1.7269    0.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7523    2.6691    1.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5447    1.7375    1.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0578    2.3052    0.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0328    2.6773    0.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2752   -0.4232    0.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4532   -3.2502   -0.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  5 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20  2  1  0
 11  6  1  0
 20 13  1  0
  4 21  1  0
  7 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 14 27  1  0
 16 28  1  0
 17 29  1  0
 19 30  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
3,5,7-Trihydroxy-2-phenyl-4H-benzopyran-4-one	ChEBI
3,5,7-Trihydroxyflavone	ChEBI
3,5,7-TriOH-flavone	ChEBI
Teptochrysin	ChEBI
3,5,7-Trihydroxy-2-phenyl-4-benzopyrone	HMDB
3,5,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one	HMDB
3,5,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one, 9ci	HMDB
3,5,7-Trihydroxy-2-phenyl-4H-chromen-4-one	HMDB
3,5,7-Trihydroxy-flavone	HMDB
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl- (9ci)	HMDB
5,7-Dihydroxyflavonol	HMDB
Galangin	HMDB
Norizalpinin	ChEBI

Chemical Formula

C₁₅H₁₀O₅

Average Molecular Weight

270.2369

Monoisotopic Molecular Weight

270.05282343

IUPAC Name

3,5,7-trihydroxy-2-phenyl-4H-chromen-4-one

Traditional Name

galangin

CAS Registry Number

548-83-4

SMILES

OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=CC=C2)=C1

InChI Identifier

InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H

InChI Key

VCCRNZQBSJXYJD-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavones

Direct Parent

Flavonols

Alternative Parents

Substituents

3-hydroxyflavone
3-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Hydroxyflavonoid
Chromone
Benzopyran
1-benzopyran
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Monocyclic benzene moiety
Benzenoid
Pyran
Vinylogous acid
Heteroaromatic compound
Organoheterocyclic compound
Oxacycle
Polyol
Organooxygen compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

trihydroxyflavone (CHEBI:5262 )
7-hydroxyflavonol (CHEBI:5262 )
Flavones and Flavonols (C10044 )
Flavones and Flavonols (LMPK12111653 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0029521)
Cytoplasm (HMDB: HMDB0029521)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0029521)

Source

Endogenous

Endogenous (HMDB: HMDB0029521)

Plant

Plant (HMDB: HMDB0029521)

Exogenous

Food

Food (HMDB: HMDB0029521)

Herb and spice mixture

Curry powder (FooDB: FOOD00678)

Herbs and Spices (FooDB: FOOD00866)

Vegetable

Cabbage

Onion-family vegetable

Root vegetable

Shoot vegetable

Leaf vegetable

Common beet (FooDB: FOOD00025)
Endive (FooDB: FOOD00048)
Rocket salad (ssp.) (FooDB: FOOD00077)
Swamp cabbage (FooDB: FOOD00091)
Lettuce (FooDB: FOOD00095)
Garden cress (FooDB: FOOD00099)
Spinach (FooDB: FOOD00178)
Swiss chard (FooDB: FOOD00237)
Chicory leaves (FooDB: FOOD00250)
Garland chrysanthemum (FooDB: FOOD00333)
Corn salad (FooDB: FOOD00340)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
Malabar spinach (FooDB: FOOD00404)
New Zealand spinach (FooDB: FOOD00415)
Yautia (FooDB: FOOD00510)
Ostrich fern (FooDB: FOOD00556)
Romaine lettuce (FooDB: FOOD00888)
Iceberg lettuce (FooDB: FOOD00973)
Pea shoots (FooDB: FOOD00975)
Yau choy (FooDB: FOOD00976)
Water spinach (FooDB: FOOD00977)

Fruit vegetable

Pepper (FooDB: FOOD00040)
Olive (FooDB: FOOD00121)
Avocado (FooDB: FOOD00130)
Garden tomato (FooDB: FOOD00171)
Cherry tomato (FooDB: FOOD00172)
Garden tomato (var.) (FooDB: FOOD00173)
Eggplant (FooDB: FOOD00174)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Groundcherry (FooDB: FOOD00371)
Pepper (C. frutescens) (FooDB: FOOD00428)
Mexican groundcherry (FooDB: FOOD00491)
Pepper (C. pubescens) (FooDB: FOOD00849)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Orange bell pepper (FooDB: FOOD00879)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Jalapeno pepper (FooDB: FOOD00955)
Cubanelle pepper (FooDB: FOOD00971)

Tuber

Stalk vegetable

Other vegetable

Giant butterbur (FooDB: FOOD00314)
Carob (FooDB: FOOD00321)
Chinese water chestnut (FooDB: FOOD00332)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Nopal (FooDB: FOOD00416)
Okra (FooDB: FOOD00420)
Sesbania flower (FooDB: FOOD00469)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Heart of palm (FooDB: FOOD00718)
Tree fern (FooDB: FOOD00797)

Mushroom

Castanospermum australe (FooDB: FOOD00893)
Gentiana lutea (FooDB: FOOD00894)
Juniperus communis (FooDB: FOOD00895)
Albizia gummifera (FooDB: FOOD00896)

Fruit

Tropical fruit

Citrus

Lime (FooDB: FOOD00053)
Lemon (FooDB: FOOD00054)
Pummelo (FooDB: FOOD00055)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Sweet orange (FooDB: FOOD00057)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Grapefruit (FooDB: FOOD00256)
Persian lime (FooDB: FOOD00543)
Sour orange (FooDB: FOOD00918)
Mikan (FooDB: FOOD00932)
Clementine (FooDB: FOOD00959)

Pome

Berry

Black crowberry (FooDB: FOOD00075)
Strawberry (FooDB: FOOD00083)
Black huckleberry (FooDB: FOOD00084)
Sea-buckthornberry (FooDB: FOOD00087)
Mulberry (FooDB: FOOD00116)
Black mulberry (FooDB: FOOD00117)
Black chokeberry (FooDB: FOOD00136)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Gooseberry (FooDB: FOOD00157)
Cloudberry (FooDB: FOOD00161)
Red raspberry (FooDB: FOOD00162)
Black raspberry (FooDB: FOOD00163)
Black elderberry (FooDB: FOOD00166)
Rowanberry (FooDB: FOOD00176)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
American cranberry (FooDB: FOOD00192)
Bilberry (FooDB: FOOD00193)
Lingonberry (FooDB: FOOD00194)
Muscadine grape (FooDB: FOOD00203)
Common grape (FooDB: FOOD00204)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Elderberry (FooDB: FOOD00358)
Grape (FooDB: FOOD00369)
Alaska blueberry (FooDB: FOOD00380)
Loganberry (FooDB: FOOD00400)
Ohelo berry (FooDB: FOOD00419)
Salmonberry (FooDB: FOOD00456)
Strawberry guava (FooDB: FOOD00482)
Boysenberry (FooDB: FOOD00542)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)
Rabbiteye blueberry (FooDB: FOOD00898)
Blackberry (FooDB: FOOD00906)
Partridge berry (FooDB: FOOD00931)
Green grape (FooDB: FOOD00964)
Red grape (FooDB: FOOD00965)
Black plum (FooDB: FOOD00966)
Black raisin (FooDB: FOOD00968)
Chinese plum (FooDB: FOOD00978)
Green plum (FooDB: FOOD00979)
Wampee (FooDB: FOOD00980)
Goji (FooDB: FOOD00982)
Monk fruit (FooDB: FOOD00983)
Hawthorn (FooDB: FOOD00985)
Lantern fruit (FooDB: FOOD00986)
Cape gooseberry (FooDB: FOOD00988)

Other fruit

Fig (FooDB: FOOD00081)
Date (FooDB: FOOD00135)
Jujube (FooDB: FOOD00388)

Drupe

Prunus (Cherry, Plum) (FooDB: FOOD00143)
Apricot (FooDB: FOOD00144)
Sweet cherry (FooDB: FOOD00145)
Sour cherry (FooDB: FOOD00146)
European plum (FooDB: FOOD00147)
Peach (FooDB: FOOD00149)
Nectarine (FooDB: FOOD00229)
Peach (var.) (FooDB: FOOD00230)
Common chokecherry (FooDB: FOOD00562)

Nut

Cashew nut (FooDB: FOOD00011)
Peanut (FooDB: FOOD00016)
Brazil nut (FooDB: FOOD00024)
Pecan nut (FooDB: FOOD00044)
Chestnut (FooDB: FOOD00045)
Common hazelnut (FooDB: FOOD00062)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Almond (FooDB: FOOD00148)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hazelnut (FooDB: FOOD00376)
Hickory nut (FooDB: FOOD00377)
Japanese chestnut (FooDB: FOOD00385)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Macadamia nut (FooDB: FOOD00525)
Walnut (FooDB: FOOD00608)

Cereal and cereal product

Cereal

Cereal product

Pasta (FooDB: FOOD00273)
Bulgur (FooDB: FOOD00741)
Semolina (FooDB: FOOD00745)
Flour (FooDB: FOOD00799)

Dough

Sourdough (FooDB: FOOD00275)

Leavened bread

Flat bread

Other bread

Potato bread (FooDB: FOOD00811)

Sweet bread

Raisin bread (FooDB: FOOD00817)

Pulse

Pea

Lentil

Lentils (FooDB: FOOD00098)

Other pulse

Lupine (FooDB: FOOD00104)
White lupine (FooDB: FOOD00403)

Bean

Green lentil (FooDB: FOOD00970)

Gourd

Watermelon (FooDB: FOOD00052)
Muskmelon (FooDB: FOOD00064)
Cucumber (FooDB: FOOD00065)
Cucurbita (FooDB: FOOD00066)
Bitter gourd (FooDB: FOOD00115)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Calabash (FooDB: FOOD00318)
Chayote (FooDB: FOOD00325)
Towel gourd (FooDB: FOOD00492)
Wax gourd (FooDB: FOOD00499)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Acorn squash (FooDB: FOOD00972)
Cantaloupe melon (FooDB: FOOD00984)

Coffee and coffee product

Coffee

Arabica coffee (FooDB: FOOD00059)
Robusta coffee (FooDB: FOOD00060)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Soy sauce (FooDB: FOOD00694)
Miso (FooDB: FOOD00695)
Tofu (FooDB: FOOD00696)
Soy milk (FooDB: FOOD00736)
Soy cream (FooDB: FOOD00784)

Tea

Herbal tea

Hibiscus tea (FooDB: FOOD00723)
Greenthread tea (FooDB: FOOD00820)

Baking good

Wrapper

Wonton wrapper (FooDB: FOOD00818)

Dish

Other dish

Taco shell (FooDB: FOOD00991)
Tostada shell (FooDB: FOOD00992)

Beverage

Fermented beverage

Grape wine (FooDB: FOOD00612)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Flavonoid Biosynthesis (PathBank: SMP0012021)

Role

Biological role

anti microbial (HMDB: HMDB0029521)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	217 - 218 °C	Not Available
Boiling Point	518.64 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	571.9 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	3.322 (est)	The Good Scents Company Information System

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M+H]+	Not Available	154.914	http://allccs.zhulab.cn/database/detail?ID=AllCCS00001413

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.12 g/L	ALOGPS
logP	2.39	ALOGPS
logP	2.76	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	6.38	ChemAxon
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	86.99 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	72.9 m³·mol⁻¹	ChemAxon
Polarizability	26.54 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	161.752	30932474
DeepCCS	[M-H]-	159.394	30932474
DeepCCS	[M-2H]-	192.28	30932474
DeepCCS	[M+Na]+	167.845	30932474
AllCCS	[M+H]+	160.7	32859911
AllCCS	[M+H-H2O]+	156.7	32859911
AllCCS	[M+NH4]+	164.4	32859911
AllCCS	[M+Na]+	165.4	32859911
AllCCS	[M-H]-	160.2	32859911
AllCCS	[M+Na-2H]-	159.4	32859911
AllCCS	[M+HCOO]-	158.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Norizalpinin	OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=CC=C2)=C1	4001.1	Standard polar	33892256
Norizalpinin	OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=CC=C2)=C1	2483.1	Standard non polar	33892256
Norizalpinin	OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=CC=C2)=C1	2734.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Norizalpinin,1TMS,isomer #1	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=CC=C3)OC2=C1	2819.6	Semi standard non polar	33892256
Norizalpinin,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)=C(C1=CC=CC=C1)O2	2765.4	Semi standard non polar	33892256
Norizalpinin,1TMS,isomer #3	C[Si](C)(C)OC1=C(C2=CC=CC=C2)OC2=CC(O)=CC(O)=C2C1=O	2735.1	Semi standard non polar	33892256
Norizalpinin,2TMS,isomer #1	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O)=C(C3=CC=CC=C3)OC2=C1	2792.2	Semi standard non polar	33892256
Norizalpinin,2TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=CC=C3)OC2=C1	2728.1	Semi standard non polar	33892256
Norizalpinin,2TMS,isomer #3	C[Si](C)(C)OC1=C(C2=CC=CC=C2)OC2=CC(O)=CC(O[Si](C)(C)C)=C2C1=O	2698.5	Semi standard non polar	33892256
Norizalpinin,3TMS,isomer #1	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=CC=C3)OC2=C1	2785.0	Semi standard non polar	33892256
Norizalpinin,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=CC=C3)OC2=C1	3068.7	Semi standard non polar	33892256
Norizalpinin,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)=C(C1=CC=CC=C1)O2	3030.0	Semi standard non polar	33892256
Norizalpinin,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=C(C2=CC=CC=C2)OC2=CC(O)=CC(O)=C2C1=O	2998.7	Semi standard non polar	33892256
Norizalpinin,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(O)=C(C3=CC=CC=C3)OC2=C1	3280.4	Semi standard non polar	33892256
Norizalpinin,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C3=CC=CC=C3)OC2=C1	3215.4	Semi standard non polar	33892256
Norizalpinin,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=C(C2=CC=CC=C2)OC2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O	3209.5	Semi standard non polar	33892256
Norizalpinin,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C3=CC=CC=C3)OC2=C1	3429.8	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Norizalpinin GC-MS (Non-derivatized) - 70eV, Positive	splash10-000i-0950000000-f80dc86cabb2b5ee7f80	2017-07-27	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Norizalpinin GC-MS (3 TMS) - 70eV, Positive	splash10-00di-3433900000-6efc1a666076cec9c866	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Norizalpinin GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Norizalpinin ESI-TOF , Negative-QTOF	splash10-004i-0917700000-5933de30c7285a663ccc	2017-08-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Norizalpinin ESI-TOF 10V, Negative-QTOF	splash10-004i-0917700000-5933de30c7285a663ccc	2017-08-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Norizalpinin ESI-TOF 40V, Negative-QTOF	splash10-014i-0980000000-5ead402f53f21ad1bc69	2017-08-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Norizalpinin ESI-TOF 30V, Negative-QTOF	splash10-014i-0980000000-5ead402f53f21ad1bc69	2017-08-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Norizalpinin ESI-TOF 20V, Negative-QTOF	splash10-014i-0980000000-5ead402f53f21ad1bc69	2017-08-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Norizalpinin ESI-TOF , Negative-QTOF	splash10-014i-0090000000-ccad6be83481aed77fa3	2017-09-12	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Norizalpinin ESI-TOF 10V, Negative-QTOF	splash10-014i-0090000000-a7d187f28c6a27ca6b7c	2017-09-12	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Norizalpinin ESI-TOF 40V, Negative-QTOF	splash10-014i-0980000000-5ead402f53f21ad1bc69	2017-09-12	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Norizalpinin ESI-TOF 30V, Negative-QTOF	splash10-014i-0090000000-573c015550a1005e3b91	2017-09-12	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Norizalpinin ESI-TOF 20V, Negative-QTOF	splash10-014i-0090000000-041e54bbbd21adb90d8e	2017-09-12	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Norizalpinin DI-ESI-qTof , Negative-QTOF	splash10-014i-0970000000-f56d16bf9ffd129227e2	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Norizalpinin DI-ESI-qTof , Positive-QTOF	splash10-0uk9-0940000000-fcc781cee9aa39b4d2c3	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Norizalpinin LC-ESI-qTof , Positive-QTOF	splash10-00ov-0941000000-088245d4060300c28913	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Norizalpinin Linear Ion Trap , negative-QTOF	splash10-01b9-0090000000-3dca6de83080ab540738	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Norizalpinin Linear Ion Trap , negative-QTOF	splash10-01b9-0090000000-c7a6c4b522f7d1ab344a	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Norizalpinin Linear Ion Trap , negative-QTOF	splash10-00mk-0690000000-9d8f0b599742e5233f85	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Norizalpinin LC-ESI-TOF , negative-QTOF	splash10-014i-0090000000-a7d187f28c6a27ca6b7c	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Norizalpinin LC-ESI-TOF , negative-QTOF	splash10-014i-0980000000-5ead402f53f21ad1bc69	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Norizalpinin LC-ESI-TOF , negative-QTOF	splash10-014i-0090000000-573c015550a1005e3b91	2017-09-14	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Norizalpinin 10V, Positive-QTOF	splash10-00di-0090000000-a5f26af5c8b5cd0dba26	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Norizalpinin 20V, Positive-QTOF	splash10-00di-0090000000-760166b17d3214284672	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Norizalpinin 40V, Positive-QTOF	splash10-0udi-6950000000-b847b228161afff1e72a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Norizalpinin 10V, Negative-QTOF	splash10-014i-0090000000-54bac69149adc7b5ba6e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Norizalpinin 20V, Negative-QTOF	splash10-014i-0190000000-d5a27d2008cc13814301	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Norizalpinin 40V, Negative-QTOF	splash10-014i-3930000000-91f995a09835f8ce6953	2016-08-03	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	34436864	details
Urine	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	34436864	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Galangin

METLIN ID

Not Available

PubChem Compound

5281616

PDB ID

Not Available

ChEBI ID

5262

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1247821

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Enzymes

Enzyme Details

1. UDP-glucuronosyltransferase 1-1

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:: UGT1A1
Uniprot ID:: P22309
Molecular weight:: 59590.91

Reactions

Norizalpinin → 6-[(3,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	details
Norizalpinin → 6-[(3,5-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	details
Norizalpinin → 6-[(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	details

Showing metabocard for Norizalpinin (HMDB0029521)

MOL for HMDB0029521 (Norizalpinin)

3D MOL for HMDB0029521 (Norizalpinin)

3D SDF for HMDB0029521 (Norizalpinin)

3D-SDF for HMDB0029521 (Norizalpinin)

PDB for HMDB0029521 (Norizalpinin)

3D PDB for HMDB0029521 (Norizalpinin)

SMILES for HMDB0029521 (Norizalpinin)

INCHI for HMDB0029521 (Norizalpinin)

Structure for HMDB0029521 (Norizalpinin)

3D Structure for HMDB0029521 (Norizalpinin)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

Enzymes

Reactions