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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-24 05:51:44 UTC

Update Date

2022-09-22 18:34:59 UTC

HMDB ID

HMDB0303943

Secondary Accession Numbers

None

Metabolite Identification

Common Name

(+)-taxifolin

Description

Taxifolin, also known as dihydroquercetin or (+)-taxifolin, is a member of the class of compounds known as flavanonols. Flavanonols are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a hydroxyl group and a ketone at the carbon C2 and C3, respectively. Taxifolin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Taxifolin can be found in a number of food items such as sweet rowanberry, arrowroot, evening primrose, and walnut, which makes taxifolin a potential biomarker for the consumption of these food products. Taxifolin is a flavanonol, a type of flavonoid .

Structure

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

HMDB0303943
     RDKit          3D
(+)-taxifolin
 34 36  0  0  0  0  0  0  0  0999 V2000
   -1.9746   -2.2224    1.8391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5149   -1.4417    0.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4264   -0.5126    0.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7671   -0.7746    0.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3486   -1.9326    0.6229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5972    0.1603   -0.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0298    1.3182   -0.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8595    2.2305   -1.5786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6858    1.5588   -0.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8427    0.6536   -0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5062    0.8687    0.0324 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4061   -0.0173    0.6262 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7474    0.1331    0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9355    0.2349   -1.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2012    0.3777   -1.8576 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3075    0.4193   -1.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5689    0.5629   -1.5964 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1431    0.3194    0.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2771    0.3660    1.1352 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8635    0.1784    0.8499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0612   -1.4586    0.6461 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5922   -2.0882    1.7032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9444   -2.6915    1.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6528   -0.0733   -0.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3424    2.9704   -1.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2276    2.4718   -1.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4778    0.2713    1.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0915    0.2054   -1.9758 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3691    0.4590   -2.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3693    0.5924   -0.9826 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1474    0.2919    2.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7476    0.1021    1.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1059   -1.9757   -0.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4296   -1.5575    2.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 12 21  1  0
 21 22  1  0
 21  2  1  0
 10  3  1  0
 20 13  1  0
  5 23  1  0
  6 24  1  0
  8 25  1  0
  9 26  1  0
 12 27  1  1
 14 28  1  0
 15 29  1  0
 17 30  1  0
 19 31  1  0
 20 32  1  0
 21 33  1  6
 22 34  1  0
M  END

  Mrv1652309272007472D          

 22 24  0  0  0  0            999 V2000
 9999.6614 9997.7072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.0876 9998.5361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.805210002.2527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.232110001.4279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2367 9997.7072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.807810000.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.517710001.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.803210001.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.088710001.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.088610000.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.8031 9999.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.517710000.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.662310000.1884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9478 9999.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9478 9998.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6623 9998.5384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3768 9998.9508    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.3768 9999.7759    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.236810000.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5221 9999.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5221 9998.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2367 9998.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 20  6  1  0  0  0  0
 22  5  1  0  0  0  0
  8  3  1  0  0  0  0
  7  4  1  0  0  0  0
  1 16  2  0  0  0  0
 18 10  1  6  0  0  0
 17  2  1  1  0  0  0
 14 19  2  0  0  0  0
 22 15  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0303943

> <DATABASE_NAME>
hmdb

> <SMILES>
O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1

> <INCHI_KEY>
CXQWRCVTCMQVQX-LSDHHAIUSA-N

> <FORMULA>
C15H12O7

> <MOLECULAR_WEIGHT>
304.2516

> <EXACT_MASS>
304.058302738

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
29.031784137700317

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one

> <ALOGPS_LOGP>
1.07

> <JCHEM_LOGP>
1.8163842679999997

> <ALOGPS_LOGS>
-2.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.00135173078782

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.742826994062549

> <JCHEM_PKA_STRONGEST_BASIC>
-4.04060800501074

> <JCHEM_POLAR_SURFACE_AREA>
127.45000000000002

> <JCHEM_REFRACTIVITY>
74.60890000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.16e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(+)-taxifolin

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0303943
     RDKit          3D
(+)-taxifolin
 34 36  0  0  0  0  0  0  0  0999 V2000
   -1.9746   -2.2224    1.8391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5149   -1.4417    0.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4264   -0.5126    0.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7671   -0.7746    0.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3486   -1.9326    0.6229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5972    0.1603   -0.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0298    1.3182   -0.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8595    2.2305   -1.5786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6858    1.5588   -0.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8427    0.6536   -0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5062    0.8687    0.0324 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4061   -0.0173    0.6262 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7474    0.1331    0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9355    0.2349   -1.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2012    0.3777   -1.8576 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3075    0.4193   -1.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5689    0.5629   -1.5964 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1431    0.3194    0.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2771    0.3660    1.1352 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8635    0.1784    0.8499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0612   -1.4586    0.6461 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5922   -2.0882    1.7032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9444   -2.6915    1.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6528   -0.0733   -0.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3424    2.9704   -1.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2276    2.4718   -1.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4778    0.2713    1.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0915    0.2054   -1.9758 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3691    0.4590   -2.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3693    0.5924   -0.9826 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1474    0.2919    2.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7476    0.1021    1.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1059   -1.9757   -0.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4296   -1.5575    2.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 12 21  1  0
 21 22  1  0
 21  2  1  0
 10  3  1  0
 20 13  1  0
  5 23  1  0
  6 24  1  0
  8 25  1  0
  9 26  1  0
 12 27  1  1
 14 28  1  0
 15 29  1  0
 17 30  1  0
 19 31  1  0
 20 32  1  0
 21 33  1  6
 22 34  1  0
M  END

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  O   UNK     0    8666.0358662.387   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    8668.6978663.934   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0    8670.0368670.872   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    8672.7008669.332   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8663.3758662.387   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8660.7088667.026   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0    8671.3668668.565   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8670.0338669.335   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8668.6998668.565   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8668.6998667.025   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8670.0328666.255   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8671.3668667.025   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0    8666.0368667.018   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0    8664.7038666.248   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8664.7038664.708   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8666.0368663.938   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8667.3708664.708   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8667.3708666.248   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8663.3758667.018   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8662.0418666.248   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8662.0418664.708   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8663.3758663.938   0.000  0.00  0.00           C+0
CONECT    1   16                                                            
CONECT    2   17                                                            
CONECT    3    8                                                            
CONECT    4    7                                                            
CONECT    5   22                                                            
CONECT    6   20                                                            
CONECT    7    8   12    4                                                  
CONECT    8    7    9    3                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   18                                                  
CONECT   11   10   12                                                       
CONECT   12   11    7                                                       
CONECT   13   14   18                                                       
CONECT   14   15   13   19                                                  
CONECT   15   14   16   22                                                  
CONECT   16   15   17    1                                                  
CONECT   17   16   18    2                                                  
CONECT   18   17   13   10                                                  
CONECT   19   20   14                                                       
CONECT   20   19   21    6                                                  
CONECT   21   20   22                                                       
CONECT   22   21    5   15                                                  
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

COMPND    HMDB0303943
HETATM    1  O1  UNL     1      -1.975  -2.222   1.839  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.515  -1.442   0.983  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.426  -0.513   0.320  1.00  0.00           C  
HETATM    4  C3  UNL     1      -3.767  -0.775   0.166  1.00  0.00           C  
HETATM    5  O2  UNL     1      -4.349  -1.933   0.623  1.00  0.00           O  
HETATM    6  C4  UNL     1      -4.597   0.160  -0.481  1.00  0.00           C  
HETATM    7  C5  UNL     1      -4.030   1.318  -0.943  1.00  0.00           C  
HETATM    8  O3  UNL     1      -4.859   2.230  -1.579  1.00  0.00           O  
HETATM    9  C6  UNL     1      -2.686   1.559  -0.779  1.00  0.00           C  
HETATM   10  C7  UNL     1      -1.843   0.654  -0.144  1.00  0.00           C  
HETATM   11  O4  UNL     1      -0.506   0.869   0.032  1.00  0.00           O  
HETATM   12  C8  UNL     1       0.406  -0.017   0.626  1.00  0.00           C  
HETATM   13  C9  UNL     1       1.747   0.133   0.059  1.00  0.00           C  
HETATM   14  C10 UNL     1       1.936   0.235  -1.302  1.00  0.00           C  
HETATM   15  C11 UNL     1       3.201   0.378  -1.858  1.00  0.00           C  
HETATM   16  C12 UNL     1       4.308   0.419  -1.023  1.00  0.00           C  
HETATM   17  O5  UNL     1       5.569   0.563  -1.596  1.00  0.00           O  
HETATM   18  C13 UNL     1       4.143   0.319   0.341  1.00  0.00           C  
HETATM   19  O6  UNL     1       5.277   0.366   1.135  1.00  0.00           O  
HETATM   20  C14 UNL     1       2.864   0.178   0.850  1.00  0.00           C  
HETATM   21  C15 UNL     1      -0.061  -1.459   0.646  1.00  0.00           C  
HETATM   22  O7  UNL     1       0.592  -2.088   1.703  1.00  0.00           O  
HETATM   23  H1  UNL     1      -3.944  -2.691   1.075  1.00  0.00           H  
HETATM   24  H2  UNL     1      -5.653  -0.073  -0.587  1.00  0.00           H  
HETATM   25  H3  UNL     1      -5.342   2.970  -1.048  1.00  0.00           H  
HETATM   26  H4  UNL     1      -2.228   2.472  -1.141  1.00  0.00           H  
HETATM   27  H5  UNL     1       0.478   0.271   1.718  1.00  0.00           H  
HETATM   28  H6  UNL     1       1.092   0.205  -1.976  1.00  0.00           H  
HETATM   29  H7  UNL     1       3.369   0.459  -2.922  1.00  0.00           H  
HETATM   30  H8  UNL     1       6.369   0.592  -0.983  1.00  0.00           H  
HETATM   31  H9  UNL     1       5.147   0.292   2.137  1.00  0.00           H  
HETATM   32  H10 UNL     1       2.748   0.102   1.905  1.00  0.00           H  
HETATM   33  H11 UNL     1       0.106  -1.976  -0.311  1.00  0.00           H  
HETATM   34  H12 UNL     1       0.430  -1.558   2.512  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   21
CONECT    3    4    4   10
CONECT    4    5    6
CONECT    5   23
CONECT    6    7    7   24
CONECT    7    8    9
CONECT    8   25
CONECT    9   10   10   26
CONECT   10   11
CONECT   11   12
CONECT   12   13   21   27
CONECT   13   14   14   20
CONECT   14   15   28
CONECT   15   16   16   29
CONECT   16   17   18
CONECT   17   30
CONECT   18   19   20   20
CONECT   19   31
CONECT   20   32
CONECT   21   22   33
CONECT   22   34
END

HMDB0303943
     RDKit          3D
(+)-taxifolin
 34 36  0  0  0  0  0  0  0  0999 V2000
   -1.9746   -2.2224    1.8391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5149   -1.4417    0.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4264   -0.5126    0.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7671   -0.7746    0.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3486   -1.9326    0.6229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5972    0.1603   -0.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0298    1.3182   -0.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8595    2.2305   -1.5786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6858    1.5588   -0.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8427    0.6536   -0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5062    0.8687    0.0324 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4061   -0.0173    0.6262 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7474    0.1331    0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9355    0.2349   -1.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2012    0.3777   -1.8576 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3075    0.4193   -1.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5689    0.5629   -1.5964 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1431    0.3194    0.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2771    0.3660    1.1352 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8635    0.1784    0.8499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0612   -1.4586    0.6461 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5922   -2.0882    1.7032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9444   -2.6915    1.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6528   -0.0733   -0.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3424    2.9704   -1.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2276    2.4718   -1.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4778    0.2713    1.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0915    0.2054   -1.9758 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3691    0.4590   -2.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3693    0.5924   -0.9826 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1474    0.2919    2.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7476    0.1021    1.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1059   -1.9757   -0.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4296   -1.5575    2.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 12 21  1  0
 21 22  1  0
 21  2  1  0
 10  3  1  0
 20 13  1  0
  5 23  1  0
  6 24  1  0
  8 25  1  0
  9 26  1  0
 12 27  1  1
 14 28  1  0
 15 29  1  0
 17 30  1  0
 19 31  1  0
 20 32  1  0
 21 33  1  6
 22 34  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
(+)-Dihydroquercetin	ChEBI
(2R,3R)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one	ChEBI
(2R,3R)-Dihydroquercetin	ChEBI
(2R-trans)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4-benzopyrone	ChEBI
Dihydroquercetin	ChEBI
trans-Dihydroquercetin	ChEBI
(+)-Taxifolin	Kegg
2,3-trans-Dihydroquercetin	ChEBI
Taxifolin	ChEBI
(+)-(2R,3R)-Dihydroquercetin	PhytoBank
(+)-trans-Taxifolin	PhytoBank
(2R,3R)-(+)-Taxifolin	PhytoBank
(2R,3R)-3,3',4',5,7-Pentahydroxyflavanone	PhytoBank
(2R,3R)-3,3’,4’,5,7-Pentahydroxyflavanone	PhytoBank
2,3-Dihydroquercetin	PhytoBank
3,5,7,3',4'-Pentahydroxyflavanone	PhytoBank
3,5,7,3’,4’-Pentahydroxyflavanone	PhytoBank
Diquertin	PhytoBank
Distylin	PhytoBank
Flamena	PhytoBank
Flamena D	PhytoBank
Jikuberuchin	PhytoBank
Lariksin	PhytoBank
Lavitol	PhytoBank
Taxifoliol	PhytoBank

Chemical Formula

C₁₅H₁₂O₇

Average Molecular Weight

304.2516

Monoisotopic Molecular Weight

304.058302738

IUPAC Name

(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one

Traditional Name

(+)-taxifolin

CAS Registry Number

Not Available

SMILES

O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C=C1

InChI Identifier

InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1

InChI Key

CXQWRCVTCMQVQX-LSDHHAIUSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavanonols. Flavanonols are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a hydroxyl group and a ketone at the carbon C2 and C3, respectively.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

Flavanonols

Alternative Parents

Substituents

Hydroxyflavonoid
Flavanonol
3'-hydroxyflavonoid
3-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Chromone
Benzopyran
1-benzopyran
Chromane
Catechol
Aryl alkyl ketone
Aryl ketone
Phenol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Vinylogous acid
Secondary alcohol
Ketone
Polyol
Organoheterocyclic compound
Oxacycle
Ether
Organooxygen compound
Organic oxide
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

taxifolin (CHEBI:17948 )
Dihyroflavonols (C01617 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (HMDB: HMDB0258748)

Herbs and Spices (FooDB: FOOD00866)

Nut

Almond (FooDB: FOOD00148)
Brazil nut (FooDB: FOOD00024)
Cashew nut (FooDB: FOOD00011)
Chestnut (FooDB: FOOD00045)
Hazelnut (FooDB: FOOD00376)
Peanut (FooDB: FOOD00016)
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)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Other soy product (FooDB: FOOD00271)

Pulse

Bean

Lentil

Lentils (FooDB: FOOD00098)

Pea

Other pulse

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

Pulses (FooDB: FOOD00867)

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)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Flavonoid Biosynthesis (PathBank: SMP0012021)
Flavone and Flavonol Biosynthesis (PathBank: SMP0012025)

EC 1.1.1.21 (aldehyde reductase) inhibitor (HMDB: HMDB0258748)

Enzyme inhibitor

Lipoxygenase inhibitor (HMDB: HMDB0258748)
Oxidase inhibitor (HMDB: HMDB0258748)

Industrial application

Manufacturing industry

Material processing agent

Solid material processing agent

Protective agent

Antioxidant (HMDB: HMDB0258748)
Antioxidant (HMDB: HMDB0258748)

Antiviral agent (HMDB: HMDB0258748)

Agriculture

Pesticide

Fungicide (HMDB: HMDB0258748)

Pesticide (HMDB: HMDB0258748)

Pharmaceutical industry

Antineoplastic agent

Antitumor (HMDB: HMDB0258748)
Cancer preventive (HMDB: HMDB0258748)

Hepatoprotective (HMDB: HMDB0258748)

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	1.07	ALOGPS
logP	1.82	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	7.74	ChemAxon
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	127.45 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	74.61 m³·mol⁻¹	ChemAxon
Polarizability	29.03 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
AllCCS	[M+H]+	170.284	32859911
AllCCS	[M+H-H2O]+	166.674	32859911
AllCCS	[M+Na]+	174.597	32859911
AllCCS	[M+NH4]+	173.634	32859911
AllCCS	[M-H]-	167.979	32859911
AllCCS	[M+Na-2H]-	167.401	32859911
AllCCS	[M+HCOO]-	166.9	32859911
DeepCCS	[M+H]+	170.589	30932474
DeepCCS	[M-H]-	168.231	30932474
DeepCCS	[M-2H]-	202.304	30932474
DeepCCS	[M+Na]+	177.321	30932474

Predicted Kovats Retention Indices

Not Available

Spectra

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - (+)-taxifolin ESI-TOF 25V, Negative-QTOF	splash10-00fr-0591000000-8c2bb267dbaff0ec8425	2017-08-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (+)-taxifolin ESI-TOF 20V, Negative-QTOF	splash10-0fk9-0393000000-2ad9cdbeaebe4832addf	2017-08-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (+)-taxifolin ESI-TOF , Negative-QTOF	splash10-0udi-0019000000-f4c2db21ffbf7fdec0ec	2017-08-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (+)-taxifolin ESI-TOF 25V, Negative-QTOF	splash10-00fr-0591000000-8c2bb267dbaff0ec8425	2017-09-12	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (+)-taxifolin ESI-TOF 20V, Negative-QTOF	splash10-0fk9-0393000000-2ad9cdbeaebe4832addf	2017-09-12	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (+)-taxifolin ESI-TOF , Negative-QTOF	splash10-0udi-0019000000-f4c2db21ffbf7fdec0ec	2017-09-12	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (+)-taxifolin DI-ESI-qTof , Positive-QTOF	splash10-0pc1-0980000000-2d1ecd15f61d12518b21	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (+)-taxifolin DI-ESI-qTof , Negative-QTOF	splash10-004r-0960000000-22428e71371e23f8c0f1	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (+)-taxifolin LC-ESI-qTof , Positive-QTOF	splash10-0a4r-0965000000-d0ca2227f5b5c9adb509	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (+)-taxifolin Linear Ion Trap , negative-QTOF	splash10-000i-0190000000-5cfd8e48c0ba0adace9c	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (+)-taxifolin Linear Ion Trap , negative-QTOF	splash10-000i-0190000000-4e9899457ae22ca1e3a8	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (+)-taxifolin LC-ESI-TOF , negative-QTOF	splash10-00fr-0591000000-8c2bb267dbaff0ec8425	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (+)-taxifolin LC-ESI-TOF , negative-QTOF	splash10-0fk9-0393000000-2ad9cdbeaebe4832addf	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (+)-taxifolin Linear Ion Trap , positive-QTOF	splash10-004i-0090000000-1c45a54959ecd51d8615	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (+)-taxifolin , positive-QTOF	splash10-0a4r-0965000000-d0ca2227f5b5c9adb509	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (+)-taxifolin , positive-QTOF	splash10-0ul1-0930000000-805f5b6770fe1b1ed799	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (+)-taxifolin LC-ESI-QFT 21V, positive-QTOF	splash10-052r-0290000000-107edeec139715941215	2020-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (+)-taxifolin LC-ESI-IT 21V, positive-QTOF	splash10-0k9i-0490000000-54689ad702b3a9efd331	2020-07-24	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (+)-taxifolin 10V, Positive-QTOF	splash10-0a4i-0229000000-ca2358a4a03140a28800	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (+)-taxifolin 20V, Positive-QTOF	splash10-0k9i-0932000000-8fe616c50e11538a79d2	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (+)-taxifolin 40V, Positive-QTOF	splash10-0f79-3900000000-055fc061b8b4ca3c7e7d	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (+)-taxifolin 10V, Negative-QTOF	splash10-0udi-0319000000-14f9f888c64a72109519	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (+)-taxifolin 20V, Negative-QTOF	splash10-0udi-0923000000-2e407916474c28202553	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (+)-taxifolin 40V, Negative-QTOF	splash10-0a4i-4910000000-da486b0c8e7b8f7c2a40	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (+)-taxifolin 10V, Positive-QTOF	splash10-0a4i-0009000000-af408fd7a67d4a98dd0c	2021-10-21	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

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

DB02224

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Taxifolin

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

17948

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1504391

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for (+)-taxifolin (HMDB0303943)

MOL for HMDB0303943 ((+)-taxifolin)

3D MOL for HMDB0303943 ((+)-taxifolin)

3D SDF for HMDB0303943 ((+)-taxifolin)

3D-SDF for HMDB0303943 ((+)-taxifolin)

PDB for HMDB0303943 ((+)-taxifolin)

3D PDB for HMDB0303943 ((+)-taxifolin)

SMILES for HMDB0303943 ((+)-taxifolin)

INCHI for HMDB0303943 ((+)-taxifolin)

Structure for HMDB0303943 ((+)-taxifolin)

3D Structure for HMDB0303943 ((+)-taxifolin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

MS/MS Spectra