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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:30:01 UTC

Update Date

2022-03-07 02:52:08 UTC

HMDB ID

HMDB0029372

Secondary Accession Numbers

HMDB29372

Metabolite Identification

Common Name

2'-Hydroxydaidzein

Description

2'-Hydroxydaidzein belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Thus, 2'-hydroxydaidzein is considered to be a flavonoid. 2'-Hydroxydaidzein has been detected, but not quantified in, several different foods, such as saffrons (Crocus sativus), celery stalks (Apium graveolens var. dulce), lemon grasses (Cymbopogon citratus), purslanes (Portulaca oleracea), and mugworts (Artemisia vulgaris). This could make 2'-hydroxydaidzein a potential biomarker for the consumption of these foods. 2'-Hydroxydaidzein 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 small amount of articles have been published on 2'-Hydroxydaidzein.

Structure

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

HMDB0029372
     RDKit          3D
2'-Hydroxydaidzein
 30 32  0  0  0  0  0  0  0  0999 V2000
    0.4235    1.6718    0.7169 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6647    0.5663    0.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3910   -0.2833   -0.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7361    0.1155    0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0599    0.5373    1.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3560    0.8983    1.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3556    0.8483    0.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6543    1.2069    1.0446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0254    0.4328   -0.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7219    0.0638   -0.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5193   -0.3321   -2.1599 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0858   -1.4923   -0.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1503   -1.8465   -0.9991 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1731   -1.1100   -0.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4846   -1.5168   -0.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5227   -0.7070   -0.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8271   -1.1308   -0.8900 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2669    0.5106   -0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9808    0.9316    0.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9296    0.1082   -0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3328    0.6014    2.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6516    1.2329    2.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3709    1.1641    0.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7823    0.3833   -1.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6581   -0.6020   -2.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8785   -2.1974   -1.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6216   -2.4903   -1.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401   -0.5986   -0.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1113    1.1337    0.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7831    1.9002    0.7087 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
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
  3 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  2  0
 20  2  1  0
 10  4  1  0
 20 14  1  0
  5 21  1  0
  6 22  1  0
  8 23  1  0
  9 24  1  0
 11 25  1  0
 12 26  1  0
 15 27  1  0
 17 28  1  0
 18 29  1  0
 19 30  1  0
M  END

  Mrv0541 02241217022D          

 20 22  0  0  0  0            999 V2000
   -2.4553    0.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4553    1.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7408    1.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0264    1.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0264    0.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7408   -0.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3119    1.4396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4026    1.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4026    0.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3119   -0.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3119   -1.0354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1698    1.4396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4026   -1.4479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1171   -1.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8315   -1.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1171   -0.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8315    0.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5460   -0.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5460   -1.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2605   -1.4479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 19  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029372

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1=CC(O)=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O

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

> <INCHI_KEY>
ZCTNPCRBEWXCGP-UHFFFAOYSA-N

> <FORMULA>
C15H10O5

> <MOLECULAR_WEIGHT>
270.2369

> <EXACT_MASS>
270.05282343

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
26.554236751980273

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-(2,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one

> <ALOGPS_LOGP>
3.00

> <JCHEM_LOGP>
2.4268723896666664

> <ALOGPS_LOGS>
-3.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.528055954362388

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.469292867148247

> <JCHEM_PKA_STRONGEST_BASIC>
-5.337537101228987

> <JCHEM_POLAR_SURFACE_AREA>
86.99000000000001

> <JCHEM_REFRACTIVITY>
71.6829

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.22e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2'-hydroxydaidzein

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029372
     RDKit          3D
2'-Hydroxydaidzein
 30 32  0  0  0  0  0  0  0  0999 V2000
    0.4235    1.6718    0.7169 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6647    0.5663    0.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3910   -0.2833   -0.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7361    0.1155    0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0599    0.5373    1.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3560    0.8983    1.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3556    0.8483    0.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6543    1.2069    1.0446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0254    0.4328   -0.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7219    0.0638   -0.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5193   -0.3321   -2.1599 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0858   -1.4923   -0.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1503   -1.8465   -0.9991 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1731   -1.1100   -0.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4846   -1.5168   -0.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5227   -0.7070   -0.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8271   -1.1308   -0.8900 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2669    0.5106   -0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9808    0.9316    0.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9296    0.1082   -0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3328    0.6014    2.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6516    1.2329    2.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3709    1.1641    0.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7823    0.3833   -1.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6581   -0.6020   -2.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8785   -2.1974   -1.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6216   -2.4903   -1.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401   -0.5986   -0.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1113    1.1337    0.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7831    1.9002    0.7087 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
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
  3 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  2  0
 20  2  1  0
 10  4  1  0
 20 14  1  0
  5 21  1  0
  6 22  1  0
  8 23  1  0
  9 24  1  0
 11 25  1  0
 12 26  1  0
 15 27  1  0
 17 28  1  0
 18 29  1  0
 19 30  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -4.583   0.377   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.583   1.917   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.249   2.687   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.916   1.917   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.916   0.377   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.249  -0.393   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.582   2.687   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       0.752   1.917   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.752   0.377   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.582  -0.393   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -0.582  -1.933   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -5.917   2.687   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       0.752  -2.703   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       2.085  -1.933   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.419  -2.703   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.085  -0.393   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.419   0.377   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.753  -0.393   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.753  -1.933   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       6.086  -2.703   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3   12                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    6   10                                                  
CONECT    6    1    5                                                       
CONECT    7    4    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   16                                                  
CONECT   10    5    9   11                                                  
CONECT   11   10                                                            
CONECT   12    2                                                            
CONECT   13   14                                                            
CONECT   14   13   15   16                                                  
CONECT   15   14   19                                                       
CONECT   16    9   14   17                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   15   18   20                                                  
CONECT   20   19                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   44    0
END

COMPND    HMDB0029372
HETATM    1  O1  UNL     1       0.424   1.672   0.717  1.00  0.00           O  
HETATM    2  C1  UNL     1       0.665   0.566   0.177  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.391  -0.283  -0.177  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.736   0.115   0.104  1.00  0.00           C  
HETATM    5  C4  UNL     1      -2.060   0.537   1.390  1.00  0.00           C  
HETATM    6  C5  UNL     1      -3.356   0.898   1.701  1.00  0.00           C  
HETATM    7  C6  UNL     1      -4.356   0.848   0.743  1.00  0.00           C  
HETATM    8  O2  UNL     1      -5.654   1.207   1.045  1.00  0.00           O  
HETATM    9  C7  UNL     1      -4.025   0.433  -0.518  1.00  0.00           C  
HETATM   10  C8  UNL     1      -2.722   0.064  -0.853  1.00  0.00           C  
HETATM   11  O3  UNL     1      -2.519  -0.332  -2.160  1.00  0.00           O  
HETATM   12  C9  UNL     1      -0.086  -1.492  -0.768  1.00  0.00           C  
HETATM   13  O4  UNL     1       1.150  -1.847  -0.999  1.00  0.00           O  
HETATM   14  C10 UNL     1       2.173  -1.110  -0.698  1.00  0.00           C  
HETATM   15  C11 UNL     1       3.485  -1.517  -0.958  1.00  0.00           C  
HETATM   16  C12 UNL     1       4.523  -0.707  -0.623  1.00  0.00           C  
HETATM   17  O5  UNL     1       5.827  -1.131  -0.890  1.00  0.00           O  
HETATM   18  C13 UNL     1       4.267   0.511  -0.029  1.00  0.00           C  
HETATM   19  C14 UNL     1       2.981   0.932   0.236  1.00  0.00           C  
HETATM   20  C15 UNL     1       1.930   0.108  -0.104  1.00  0.00           C  
HETATM   21  H1  UNL     1      -1.333   0.601   2.188  1.00  0.00           H  
HETATM   22  H2  UNL     1      -3.652   1.233   2.691  1.00  0.00           H  
HETATM   23  H3  UNL     1      -6.371   1.164   0.333  1.00  0.00           H  
HETATM   24  H4  UNL     1      -4.782   0.383  -1.285  1.00  0.00           H  
HETATM   25  H5  UNL     1      -1.658  -0.602  -2.568  1.00  0.00           H  
HETATM   26  H6  UNL     1      -0.878  -2.197  -1.063  1.00  0.00           H  
HETATM   27  H7  UNL     1       3.622  -2.490  -1.430  1.00  0.00           H  
HETATM   28  H8  UNL     1       6.640  -0.599  -0.676  1.00  0.00           H  
HETATM   29  H9  UNL     1       5.111   1.134   0.227  1.00  0.00           H  
HETATM   30  H10 UNL     1       2.783   1.900   0.709  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   20
CONECT    3    4   12   12
CONECT    4    5    5   10
CONECT    5    6   21
CONECT    6    7    7   22
CONECT    7    8    9
CONECT    8   23
CONECT    9   10   10   24
CONECT   10   11
CONECT   11   25
CONECT   12   13   26
CONECT   13   14
CONECT   14   15   15   20
CONECT   15   16   27
CONECT   16   17   18   18
CONECT   17   28
CONECT   18   19   29
CONECT   19   20   20   30
END

HMDB0029372
     RDKit          3D
2'-Hydroxydaidzein
 30 32  0  0  0  0  0  0  0  0999 V2000
    0.4235    1.6718    0.7169 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6647    0.5663    0.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3910   -0.2833   -0.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7361    0.1155    0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0599    0.5373    1.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3560    0.8983    1.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3556    0.8483    0.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6543    1.2069    1.0446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0254    0.4328   -0.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7219    0.0638   -0.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5193   -0.3321   -2.1599 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0858   -1.4923   -0.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1503   -1.8465   -0.9991 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1731   -1.1100   -0.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4846   -1.5168   -0.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5227   -0.7070   -0.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8271   -1.1308   -0.8900 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2669    0.5106   -0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9808    0.9316    0.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9296    0.1082   -0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3328    0.6014    2.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6516    1.2329    2.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3709    1.1641    0.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7823    0.3833   -1.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6581   -0.6020   -2.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8785   -2.1974   -1.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6216   -2.4903   -1.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401   -0.5986   -0.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1113    1.1337    0.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7831    1.9002    0.7087 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
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
  3 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  2  0
 20  2  1  0
 10  4  1  0
 20 14  1  0
  5 21  1  0
  6 22  1  0
  8 23  1  0
  9 24  1  0
 11 25  1  0
 12 26  1  0
 15 27  1  0
 17 28  1  0
 18 29  1  0
 19 30  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
2',4',7-Trihydroxyisoflavone	ChEBI
3-(2,4-Dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one	ChEBI
3-(2,4-Dihydroxyphenyl)-7-hydroxychromen-4-one	Kegg
3-(2,4-Dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one, 9ci	HMDB
3-(2,4-Dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one	HMDB
7,2',4'-Trihydroxyisoflavone	HMDB
2',4',7-THIF	MeSH, HMDB

Chemical Formula

C₁₅H₁₀O₅

Average Molecular Weight

270.2369

Monoisotopic Molecular Weight

270.05282343

IUPAC Name

3-(2,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one

Traditional Name

2'-hydroxydaidzein

CAS Registry Number

7678-85-5

SMILES

OC1=CC(O)=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O

InChI Identifier

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

InChI Key

ZCTNPCRBEWXCGP-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Isoflav-2-enes

Direct Parent

Isoflavones

Alternative Parents

Substituents

Hydroxyisoflavonoid
Isoflavone
Chromone
Benzopyran
1-benzopyran
Resorcinol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Phenol
Monocyclic benzene moiety
Benzenoid
Pyran
Heteroaromatic compound
Oxacycle
Organoheterocyclic compound
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

hydroxyisoflavone (CHEBI:27479 )
isoflavones (C02495 )
Isoflavonoids (C02495 )
Isoflavonoids (LMPK12050083 )
a small molecule (2-HYDROXYDAIDZEIN )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Membrane (HMDB: HMDB0029372)
Cell membrane (HMDB: HMDB0029372)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0029372)

Source

Endogenous

Endogenous (HMDB: HMDB0029372)

Plant

Animal

Animal (HMDB: HMDB0029372)

Exogenous

Food

Food (HMDB: HMDB0029372)

Herbs and Spices (FooDB: FOOD00866)

Nut

Almond (FooDB: FOOD00148)
Brazil nut (FooDB: FOOD00024)
Cashew nut (FooDB: FOOD00011)
Chestnut (FooDB: FOOD00045)
Peanut (FooDB: FOOD00016)
Hazelnut (FooDB: FOOD00376)
Pecan nut (FooDB: FOOD00044)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Walnut (FooDB: FOOD00608)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hickory nut (FooDB: FOOD00377)
Macadamia nut (FooDB: FOOD00525)
Mixed nuts (FooDB: FOOD00771)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Japanese chestnut (FooDB: FOOD00385)
Common hazelnut (FooDB: FOOD00062)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Nuts (FooDB: FOOD00869)

Fruit

Pome

Drupe

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

Tropical fruit

Berry

Bilberry (FooDB: FOOD00193)
Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Elderberry (FooDB: FOOD00358)
Gooseberry (FooDB: FOOD00157)
Grape (FooDB: FOOD00369)
Lingonberry (FooDB: FOOD00194)
Loganberry (FooDB: FOOD00400)
Strawberry (FooDB: FOOD00083)
Boysenberry (FooDB: FOOD00542)
American cranberry (FooDB: FOOD00192)
Common grape (FooDB: FOOD00204)
Strawberry guava (FooDB: FOOD00482)
Black mulberry (FooDB: FOOD00117)
Red raspberry (FooDB: FOOD00162)
Muscadine grape (FooDB: FOOD00203)
Salmonberry (FooDB: FOOD00456)
Alaska blueberry (FooDB: FOOD00380)
Sea-buckthornberry (FooDB: FOOD00087)
Black elderberry (FooDB: FOOD00166)
Black crowberry (FooDB: FOOD00075)
Black huckleberry (FooDB: FOOD00084)
Mulberry (FooDB: FOOD00116)
Black chokeberry (FooDB: FOOD00136)
Cloudberry (FooDB: FOOD00161)
Black raspberry (FooDB: FOOD00163)
Rowanberry (FooDB: FOOD00176)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
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)
Ohelo berry (FooDB: FOOD00419)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)

Other fruit

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

Citrus

Grapefruit (FooDB: FOOD00256)
Lemon (FooDB: FOOD00054)
Lime (FooDB: FOOD00053)
Sweet orange (FooDB: FOOD00057)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Persian lime (FooDB: FOOD00543)
Pummelo (FooDB: FOOD00055)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Citrus (FooDB: FOOD00859)

Fruits (FooDB: FOOD00871)

Vegetable

Shoot vegetable

Fruit vegetable

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

Root vegetable

Cabbage

Leaf vegetable

Lettuce (FooDB: FOOD00095)
Swiss chard (FooDB: FOOD00237)
Garden cress (FooDB: FOOD00099)
Endive (FooDB: FOOD00048)
Spinach (FooDB: FOOD00178)
Common beet (FooDB: FOOD00025)
Garland chrysanthemum (FooDB: FOOD00333)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
New Zealand spinach (FooDB: FOOD00415)
Swamp cabbage (FooDB: FOOD00091)
Rocket salad (ssp.) (FooDB: FOOD00077)
Yautia (FooDB: FOOD00510)
Romaine lettuce (FooDB: FOOD00888)
Rocket salad (FooDB: FOOD00244)
Chicory leaves (FooDB: FOOD00250)
Corn salad (FooDB: FOOD00340)
Malabar spinach (FooDB: FOOD00404)
Ostrich fern (FooDB: FOOD00556)
Green vegetables (FooDB: FOOD00872)

Mushroom

Tuber

Onion-family vegetable

Leek (FooDB: FOOD00007)
Allium (FooDB: FOOD00005)
Wild leek (FooDB: FOOD00396)
Shallot (FooDB: FOOD00243)
Garden onion (FooDB: FOOD00006)
Garden onion (var.) (FooDB: FOOD00226)
Onion-family vegetables (FooDB: FOOD00855)
Green onion (FooDB: FOOD00963)
Red onion (FooDB: FOOD00962)

Other vegetable

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

Stalk vegetable

Brassica

Brassicas (FooDB: FOOD00857)

Cereal and cereal product

Other bread

Other bread (FooDB: FOOD00269)

Cereal

Cereal product

Dough

Sourdough (FooDB: FOOD00275)

Cereals and cereal products (FooDB: FOOD00858)

Pulse

Bean

Lentil

Lentils (FooDB: FOOD00098)

Pea

Other pulse

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

Pulses (FooDB: FOOD00867)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Soy milk (FooDB: FOOD00736)
Other soy product (FooDB: FOOD00271)

Abalone (FooDB: FOOD00279)
Conch (FooDB: FOOD00611)

Gourd

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

Tea

Herbal tea

Greenthread tea (FooDB: FOOD00820)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Exogenous (HMDB: HMDB0029372)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	275 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	1188 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.12 g/L	ALOGPS
logP	3	ALOGPS
logP	2.43	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	6.47	ChemAxon
pKa (Strongest Basic)	-5.3	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	71.68 m³·mol⁻¹	ChemAxon
Polarizability	26.55 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
DarkChem	[M+H]+	163.046	31661259
DarkChem	[M-H]-	162.423	31661259
DeepCCS	[M+H]+	164.315	30932474
DeepCCS	[M-H]-	161.957	30932474
DeepCCS	[M-2H]-	194.844	30932474
DeepCCS	[M+Na]+	170.409	30932474
AllCCS	[M+H]+	161.0	32859911
AllCCS	[M+H-H2O]+	157.1	32859911
AllCCS	[M+NH4]+	164.6	32859911
AllCCS	[M+Na]+	165.6	32859911
AllCCS	[M-H]-	161.5	32859911
AllCCS	[M+Na-2H]-	160.7	32859911
AllCCS	[M+HCOO]-	160.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
2'-Hydroxydaidzein	OC1=CC(O)=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O	4194.3	Standard polar	33892256
2'-Hydroxydaidzein	OC1=CC(O)=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O	2645.6	Standard non polar	33892256
2'-Hydroxydaidzein	OC1=CC(O)=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O	3047.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
2'-Hydroxydaidzein,1TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C2=COC3=CC(O)=CC=C3C2=O)C(O)=C1	2959.5	Semi standard non polar	33892256
2'-Hydroxydaidzein,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(O)=CC=C2C1=O	2915.4	Semi standard non polar	33892256
2'-Hydroxydaidzein,1TMS,isomer #3	C[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3O)=COC2=C1	2997.4	Semi standard non polar	33892256
2'-Hydroxydaidzein,2TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[Si](C)(C)C)=CC=C3C2=O)C(O)=C1	2849.3	Semi standard non polar	33892256
2'-Hydroxydaidzein,2TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C2=COC3=CC(O)=CC=C3C2=O)C(O[Si](C)(C)C)=C1	2859.3	Semi standard non polar	33892256
2'-Hydroxydaidzein,2TMS,isomer #3	C[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3O[Si](C)(C)C)=COC2=C1	2847.9	Semi standard non polar	33892256
2'-Hydroxydaidzein,3TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[Si](C)(C)C)=CC=C3C2=O)C(O[Si](C)(C)C)=C1	2791.0	Semi standard non polar	33892256
2'-Hydroxydaidzein,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(O)=CC=C3C2=O)C(O)=C1	3220.8	Semi standard non polar	33892256
2'-Hydroxydaidzein,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(O)=CC=C2C1=O	3186.4	Semi standard non polar	33892256
2'-Hydroxydaidzein,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3O)=COC2=C1	3241.7	Semi standard non polar	33892256
2'-Hydroxydaidzein,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3C2=O)C(O)=C1	3403.7	Semi standard non polar	33892256
2'-Hydroxydaidzein,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(O)=CC=C3C2=O)C(O[Si](C)(C)C(C)(C)C)=C1	3367.0	Semi standard non polar	33892256
2'-Hydroxydaidzein,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)=COC2=C1	3379.0	Semi standard non polar	33892256
2'-Hydroxydaidzein,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3C2=O)C(O[Si](C)(C)C(C)(C)C)=C1	3521.8	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 - 2'-Hydroxydaidzein GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-0390000000-a69a61f0c28cfc77fc0d	2017-07-27	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2'-Hydroxydaidzein GC-MS (3 TMS) - 70eV, Positive	splash10-00di-3323900000-d75d9fff66457d20c1d7	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2'-Hydroxydaidzein GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2'-Hydroxydaidzein 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
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2'-Hydroxydaidzein 10V, Positive-QTOF	splash10-00di-0090000000-cc88b59834f822cb223a	2015-05-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2'-Hydroxydaidzein 20V, Positive-QTOF	splash10-00di-0090000000-6a639c80709bf971ff91	2015-05-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2'-Hydroxydaidzein 40V, Positive-QTOF	splash10-0f79-5970000000-1642d00d54ce7bfb88ba	2015-05-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2'-Hydroxydaidzein 10V, Negative-QTOF	splash10-014i-0090000000-29e3069cfce08c6b9bf1	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2'-Hydroxydaidzein 20V, Negative-QTOF	splash10-014i-0090000000-c19af9a6981284c6817c	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2'-Hydroxydaidzein 40V, Negative-QTOF	splash10-014r-5950000000-bcdb864e1925ff1ff08a	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2'-Hydroxydaidzein 10V, Negative-QTOF	splash10-014i-0090000000-4e65ba44fc45f7e80f5a	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2'-Hydroxydaidzein 20V, Negative-QTOF	splash10-014i-0090000000-1e651de087453457c4fc	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2'-Hydroxydaidzein 40V, Negative-QTOF	splash10-002e-1970000000-cabd062f123090315458	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2'-Hydroxydaidzein 10V, Positive-QTOF	splash10-00di-0090000000-ae6e5e86465295cd0332	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2'-Hydroxydaidzein 20V, Positive-QTOF	splash10-00di-0090000000-ae6e5e86465295cd0332	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2'-Hydroxydaidzein 40V, Positive-QTOF	splash10-004m-1970000000-ae2c810924d7bcf71f60	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Membrane

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

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

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5280520

PDB ID

Not Available

ChEBI ID

27479

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1485721

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.. .

Showing metabocard for 2'-Hydroxydaidzein (HMDB0029372)

MOL for HMDB0029372 (2'-Hydroxydaidzein)

3D MOL for HMDB0029372 (2'-Hydroxydaidzein)

3D SDF for HMDB0029372 (2'-Hydroxydaidzein)

3D-SDF for HMDB0029372 (2'-Hydroxydaidzein)

PDB for HMDB0029372 (2'-Hydroxydaidzein)

3D PDB for HMDB0029372 (2'-Hydroxydaidzein)

SMILES for HMDB0029372 (2'-Hydroxydaidzein)

INCHI for HMDB0029372 (2'-Hydroxydaidzein)

Structure for HMDB0029372 (2'-Hydroxydaidzein)

3D Structure for HMDB0029372 (2'-Hydroxydaidzein)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra