NP-MRD: Showing NP-Card for formononetin methylated (NP0334721)

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Record Information

Version

2.0

Created at

2024-09-10 19:40:36 UTC

Updated at

2024-09-10 19:40:36 UTC

NP-MRD ID

NP0334721

Secondary Accession Numbers

None

Natural Product Identification

Common Name

formononetin methylated

Description

Daidzein, also known as daidzeol or isoaurostatin, 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, daidzein is considered to be a flavonoid. Daidzein is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. formononetin methylated was first documented in 2021 (PMID: 34581085). Based on a literature review a significant number of articles have been published on Daidzein (PMID: 34603603) (PMID: 34555897) (PMID: 34554454) (PMID: 34540371) (PMID: 34539970) (PMID: 34532365).

Structure

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


  Mrv1652306242117433D          

 29 31  0  0  0  0            999 V2000
   -0.3521   -1.4479   -1.2376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5652   -0.4867   -0.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4046    0.2634    0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8040   -0.0732   -0.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125   -0.1352    0.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0410   -0.4496    0.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4882   -0.7149   -0.5592 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8283   -1.0392   -0.8137 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5819   -0.6546   -1.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2367   -0.3360   -1.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0379    1.3049    0.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2044    1.5835    1.1738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2128    0.9169    0.6273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5103    1.2861    0.9048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5476    0.5887    0.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8831    0.9260    0.5847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2262   -0.4735   -0.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9287   -0.8384   -0.7854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8961   -0.1354   -0.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4057    0.0651    1.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7570   -0.4969    1.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5027   -0.3018   -1.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9139   -0.8583   -2.5927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5941   -0.3094   -2.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8526    1.8769    1.4362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7225    2.1116    1.5617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3927    0.5041    1.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0544   -1.0172   -0.9572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6648   -1.6589   -1.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  3 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  2  1  0  0  0  0
 10  4  1  0  0  0  0
 19 13  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 14 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END

HMDB0003312
     RDKit          3D
Daidzein
 29 31  0  0  0  0  0  0  0  0999 V2000
    0.2536   -0.0173    1.8469 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5825   -0.0359    0.6505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3798   -0.0310   -0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8086   -0.0043   -0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6718    0.8437   -0.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0233    0.8650   -0.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5494    0.0495    0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9127    0.0692    0.7479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7288   -0.8026    1.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3788   -0.8103    0.9011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036   -0.0519   -1.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2837   -0.0761   -1.9470 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2291   -0.0815   -1.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5707   -0.1073   -1.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5640   -0.1131   -0.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8907   -0.1395   -0.8057 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2473   -0.0930    0.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9164   -0.0674    1.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9144   -0.0615    0.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2414    1.4947   -1.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6763    1.5246   -1.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3023    0.7039    1.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1733   -1.4465    1.9475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7312   -1.4801    1.4572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7102   -0.0492   -2.4883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8213   -0.1232   -2.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3375    0.7609   -0.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0408   -0.0981    1.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6324   -0.0512    2.3322 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
  3 11  2  0
 11 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  2  0
 19  2  1  0
 10  4  1  0
 19 13  1  0
  5 20  1  0
  6 21  1  0
  8 22  1  0
  9 23  1  0
 10 24  1  0
 11 25  1  0
 14 26  1  0
 16 27  1  0
 17 28  1  0
 18 29  1  0
M  END


  Mrv1652306242117433D          

 29 31  0  0  0  0            999 V2000
   -0.3521   -1.4479   -1.2376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5652   -0.4867   -0.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4046    0.2634    0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8040   -0.0732   -0.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125   -0.1352    0.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0410   -0.4496    0.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4882   -0.7149   -0.5592 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8283   -1.0392   -0.8137 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5819   -0.6546   -1.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2367   -0.3360   -1.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0379    1.3049    0.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2044    1.5835    1.1738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2128    0.9169    0.6273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5103    1.2861    0.9048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5476    0.5887    0.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8831    0.9260    0.5847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2262   -0.4735   -0.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9287   -0.8384   -0.7854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8961   -0.1354   -0.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4057    0.0651    1.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7570   -0.4969    1.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5027   -0.3018   -1.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9139   -0.8583   -2.5927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5941   -0.3094   -2.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8526    1.8769    1.4362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7225    2.1116    1.5617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3927    0.5041    1.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0544   -1.0172   -0.9572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6648   -1.6589   -1.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  3 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  2  1  0  0  0  0
 10  4  1  0  0  0  0
 19 13  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 14 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0334721

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])OC2=C([H])C(O[H])=C([H])C([H])=C2C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H

> <INCHI_KEY>
ZQSIJRDFPHDXIC-UHFFFAOYSA-N

> <FORMULA>
C15H10O4

> <MOLECULAR_WEIGHT>
254.241

> <EXACT_MASS>
254.057908802

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
25.749073574949946

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

> <ALOGPS_LOGP>
3.30

> <JCHEM_LOGP>
2.730437711333333

> <ALOGPS_LOGS>
-3.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.96496507357039

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.476840159725478

> <JCHEM_PKA_STRONGEST_BASIC>
-5.336102454110623

> <JCHEM_POLAR_SURFACE_AREA>
66.76

> <JCHEM_REFRACTIVITY>
69.70200000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.49e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
daidzein

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0003312
     RDKit          3D
Daidzein
 29 31  0  0  0  0  0  0  0  0999 V2000
    0.2536   -0.0173    1.8469 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5825   -0.0359    0.6505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3798   -0.0310   -0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8086   -0.0043   -0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6718    0.8437   -0.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0233    0.8650   -0.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5494    0.0495    0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9127    0.0692    0.7479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7288   -0.8026    1.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3788   -0.8103    0.9011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036   -0.0519   -1.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2837   -0.0761   -1.9470 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2291   -0.0815   -1.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5707   -0.1073   -1.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5640   -0.1131   -0.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8907   -0.1395   -0.8057 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2473   -0.0930    0.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9164   -0.0674    1.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9144   -0.0615    0.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2414    1.4947   -1.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6763    1.5246   -1.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3023    0.7039    1.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1733   -1.4465    1.9475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7312   -1.4801    1.4572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7102   -0.0492   -2.4883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8213   -0.1232   -2.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3375    0.7609   -0.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0408   -0.0981    1.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6324   -0.0512    2.3322 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
  3 11  2  0
 11 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  2  0
 19  2  1  0
 10  4  1  0
 19 13  1  0
  5 20  1  0
  6 21  1  0
  8 22  1  0
  9 23  1  0
 10 24  1  0
 11 25  1  0
 14 26  1  0
 16 27  1  0
 17 28  1  0
 18 29  1  0
M  END

HEADER    PROTEIN                                 24-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-JUN-21         0                                  
HETATM    1  O   UNK     0      -0.352  -1.448  -1.238  0.00  0.00           O+0
HETATM    2  C   UNK     0      -0.565  -0.487  -0.472  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.405   0.263   0.141  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.804  -0.073  -0.110  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.712  -0.135   0.916  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.041  -0.450   0.718  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.488  -0.715  -0.559  0.00  0.00           C+0
HETATM    8  O   UNK     0       5.828  -1.039  -0.814  0.00  0.00           O+0
HETATM    9  C   UNK     0       3.582  -0.655  -1.594  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.237  -0.336  -1.391  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.038   1.305   0.968  0.00  0.00           C+0
HETATM   12  O   UNK     0      -1.204   1.583   1.174  0.00  0.00           O+0
HETATM   13  C   UNK     0      -2.213   0.917   0.627  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.510   1.286   0.905  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.548   0.589   0.333  0.00  0.00           C+0
HETATM   16  O   UNK     0      -5.883   0.926   0.585  0.00  0.00           O+0
HETATM   17  C   UNK     0      -4.226  -0.474  -0.511  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.929  -0.838  -0.785  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.896  -0.135  -0.210  0.00  0.00           C+0
HETATM   20  H   UNK     0       2.406   0.065   1.930  0.00  0.00           H+0
HETATM   21  H   UNK     0       4.757  -0.497   1.537  0.00  0.00           H+0
HETATM   22  H   UNK     0       6.503  -0.302  -1.019  0.00  0.00           H+0
HETATM   23  H   UNK     0       3.914  -0.858  -2.593  0.00  0.00           H+0
HETATM   24  H   UNK     0       1.594  -0.309  -2.247  0.00  0.00           H+0
HETATM   25  H   UNK     0       0.853   1.877   1.436  0.00  0.00           H+0
HETATM   26  H   UNK     0      -3.723   2.112   1.562  0.00  0.00           H+0
HETATM   27  H   UNK     0      -6.393   0.504   1.365  0.00  0.00           H+0
HETATM   28  H   UNK     0      -5.054  -1.017  -0.957  0.00  0.00           H+0
HETATM   29  H   UNK     0      -2.665  -1.659  -1.438  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2    1    3   19                                                  
CONECT    3    2    4   11                                                  
CONECT    4    3    5   10                                                  
CONECT    5    4    6   20                                                  
CONECT    6    5    7   21                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7   22                                                       
CONECT    9    7   10   23                                                  
CONECT   10    9    4   24                                                  
CONECT   11    3   12   25                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   19                                                  
CONECT   14   13   15   26                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15   27                                                       
CONECT   17   15   18   28                                                  
CONECT   18   17   19   29                                                  
CONECT   19   18    2   13                                                  
CONECT   20    5                                                            
CONECT   21    6                                                            
CONECT   22    8                                                            
CONECT   23    9                                                            
CONECT   24   10                                                            
CONECT   25   11                                                            
CONECT   26   14                                                            
CONECT   27   16                                                            
CONECT   28   17                                                            
CONECT   29   18                                                            
MASTER        0    0    0    0    0    0    0    0   29    0   62    0
END

COMPND    HMDB0003312
HETATM    1  O1  UNL     1       0.254  -0.017   1.847  1.00  0.00           O  
HETATM    2  C1  UNL     1       0.582  -0.036   0.651  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.380  -0.031  -0.338  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.809  -0.004  -0.058  1.00  0.00           C  
HETATM    5  C4  UNL     1      -2.672   0.844  -0.753  1.00  0.00           C  
HETATM    6  C5  UNL     1      -4.023   0.865  -0.485  1.00  0.00           C  
HETATM    7  C6  UNL     1      -4.549   0.049   0.475  1.00  0.00           C  
HETATM    8  O2  UNL     1      -5.913   0.069   0.748  1.00  0.00           O  
HETATM    9  C7  UNL     1      -3.729  -0.803   1.183  1.00  0.00           C  
HETATM   10  C8  UNL     1      -2.379  -0.810   0.901  1.00  0.00           C  
HETATM   11  C9  UNL     1       0.004  -0.052  -1.662  1.00  0.00           C  
HETATM   12  O3  UNL     1       1.284  -0.076  -1.947  1.00  0.00           O  
HETATM   13  C10 UNL     1       2.229  -0.082  -1.023  1.00  0.00           C  
HETATM   14  C11 UNL     1       3.571  -0.107  -1.358  1.00  0.00           C  
HETATM   15  C12 UNL     1       4.564  -0.113  -0.396  1.00  0.00           C  
HETATM   16  O4  UNL     1       5.891  -0.139  -0.806  1.00  0.00           O  
HETATM   17  C13 UNL     1       4.247  -0.093   0.949  1.00  0.00           C  
HETATM   18  C14 UNL     1       2.916  -0.067   1.289  1.00  0.00           C  
HETATM   19  C15 UNL     1       1.914  -0.062   0.320  1.00  0.00           C  
HETATM   20  H1  UNL     1      -2.241   1.495  -1.522  1.00  0.00           H  
HETATM   21  H2  UNL     1      -4.676   1.525  -1.029  1.00  0.00           H  
HETATM   22  H3  UNL     1      -6.302   0.704   1.456  1.00  0.00           H  
HETATM   23  H4  UNL     1      -4.173  -1.446   1.947  1.00  0.00           H  
HETATM   24  H5  UNL     1      -1.731  -1.480   1.457  1.00  0.00           H  
HETATM   25  H6  UNL     1      -0.710  -0.049  -2.488  1.00  0.00           H  
HETATM   26  H7  UNL     1       3.821  -0.123  -2.420  1.00  0.00           H  
HETATM   27  H8  UNL     1       6.338   0.761  -0.949  1.00  0.00           H  
HETATM   28  H9  UNL     1       5.041  -0.098   1.678  1.00  0.00           H  
HETATM   29  H10 UNL     1       2.632  -0.051   2.332  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   19
CONECT    3    4   11   11
CONECT    4    5    5   10
CONECT    5    6   20
CONECT    6    7    7   21
CONECT    7    8    9
CONECT    8   22
CONECT    9   10   10   23
CONECT   10   24
CONECT   11   12   25
CONECT   12   13
CONECT   13   14   14   19
CONECT   14   15   26
CONECT   15   16   17   17
CONECT   16   27
CONECT   17   18   28
CONECT   18   19   19   29
END

HMDB0003312
     RDKit          3D
Daidzein
 29 31  0  0  0  0  0  0  0  0999 V2000
    0.2536   -0.0173    1.8469 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5825   -0.0359    0.6505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3798   -0.0310   -0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8086   -0.0043   -0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6718    0.8437   -0.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0233    0.8650   -0.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5494    0.0495    0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9127    0.0692    0.7479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7288   -0.8026    1.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3788   -0.8103    0.9011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036   -0.0519   -1.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2837   -0.0761   -1.9470 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2291   -0.0815   -1.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5707   -0.1073   -1.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5640   -0.1131   -0.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8907   -0.1395   -0.8057 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2473   -0.0930    0.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9164   -0.0674    1.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9144   -0.0615    0.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2414    1.4947   -1.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6763    1.5246   -1.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3023    0.7039    1.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1733   -1.4465    1.9475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7312   -1.4801    1.4572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7102   -0.0492   -2.4883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8213   -0.1232   -2.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3375    0.7609   -0.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0408   -0.0981    1.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6324   -0.0512    2.3322 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
  3 11  2  0
 11 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  2  0
 19  2  1  0
 10  4  1  0
 19 13  1  0
  5 20  1  0
  6 21  1  0
  8 22  1  0
  9 23  1  0
 10 24  1  0
 11 25  1  0
 14 26  1  0
 16 27  1  0
 17 28  1  0
 18 29  1  0
M  END

View in JSmol View DFT Assignments 3D Conformers

Synonyms

Value	Source
4',7-Dihydroxyisoflavone	ChEBI
7,4'-Dihydroxyisoflavone	ChEBI
7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone	ChEBI
7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	ChEBI
Daidzeol	ChEBI
Isoaurostatin	ChEBI
4',7-Dihydroxy-isoflavone	HMDB
Diadzein	HMDB

Chemical Formula

C₁₅H₁₀O₄

Average Mass

254.2410 Da

Monoisotopic Mass

254.05791 Da

IUPAC Name

7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

Traditional Name

daidzein

CAS Registry Number

Not Available

SMILES

[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])OC2=C([H])C(O[H])=C([H])C([H])=C2C1=O

InChI Identifier

InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H

InChI Key

ZQSIJRDFPHDXIC-UHFFFAOYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, 100%_DMSO, experimental)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

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

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

7-hydroxyisoflavones (CHEBI:28197 )
isoflavones (C10208 )
Isoflavonoids (C10208 )
Isoflavonoids (LMPK12050038 )
an isoflavone (DAIDZEIN )
a 4'-hydroxyisoflavone (DAIDZEIN )

Physical Properties

State

Not Available

Experimental 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

Predicted Properties

Property	Value	Source
logP	3.3	ALOGPS
logP	2.73	ChemAxon
logS	-3.5	ALOGPS
pKa (Strongest Acidic)	6.48	ChemAxon
pKa (Strongest Basic)	-5.3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	66.76 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	69.7 m³·mol⁻¹	ChemAxon
Polarizability	25.75 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

External Links

HMDB ID

HMDB0003312

DrugBank ID

DB13182

Phenol Explorer Compound ID

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Daidzein

METLIN ID

Not Available

PubChem Compound

5281708

PDB ID

Not Available

ChEBI ID

28197

Good Scents ID

rw1504461

References

General References

Xu F, Zhou CX, Mo JX, Gan LS: [A new phenylethanol glycoside from Baphicacanthis Cusiae Rhizoma et Radix]. Zhongguo Zhong Yao Za Zhi. 2021 Sep;46(18):4749-4756. doi: 10.19540/j.cnki.cjcmm.20210429.201. [PubMed:34581085 ]
Kim SB, Assefa F, Lee SJ, Park EK, Kim SS: Combined effects of soy isoflavone and lecithin on bone loss in ovariectomized mice. Nutr Res Pract. 2021 Oct;15(5):541-554. doi: 10.4162/nrp.2021.15.5.541. Epub 2021 Mar 22. [PubMed:34603603 ]
Shimazu R, Anada M, Miyaguchi A, Nomi Y, Matsumoto H: Evaluation of Blood-Brain Barrier Permeability of Polyphenols, Anthocyanins, and Their Metabolites. J Agric Food Chem. 2021 Oct 6;69(39):11676-11686. doi: 10.1021/acs.jafc.1c02898. Epub 2021 Sep 23. [PubMed:34555897 ]
Wei B, Wang YK, Yu JB, Wang SJ, Yu YL, Xu XW, Wang H: Discovery of novel glycoside hydrolases from C-glycoside-degrading bacteria using sequence similarity network analysis. J Microbiol. 2021 Oct;59(10):931-940. doi: 10.1007/s12275-021-1292-4. Epub 2021 Sep 23. [PubMed:34554454 ]
Zhu Y, Yang Z, Xie Y, Yang M, Zhang Y, Deng Z, Cai L: Investigation of inhibition effect of daidzein on osteosarcoma cells based on experimental validation and systematic pharmacology analysis. PeerJ. 2021 Aug 31;9:e12072. doi: 10.7717/peerj.12072. eCollection 2021. [PubMed:34540371 ]
Alshehri MM, Sharifi-Rad J, Herrera-Bravo J, Jara EL, Salazar LA, Kregiel D, Uprety Y, Akram M, Iqbal M, Martorell M, Torrens-Mas M, Pons DG, Dastan SD, Cruz-Martins N, Ozdemir FA, Kumar M, Cho WC: Therapeutic Potential of Isoflavones with an Emphasis on Daidzein. Oxid Med Cell Longev. 2021 Sep 9;2021:6331630. doi: 10.1155/2021/6331630. eCollection 2021. [PubMed:34539970 ]
Li SL, Cao R, Hu XF, Xiong P, Zhao GY, Xie YN, Wang ZM, Li YK, Yang B, Yang J: Daidzein ameliorated concanavalin A-induced liver injury through the Akt/GSK-3beta/Nrf2 pathway in mice. Ann Transl Med. 2021 Aug;9(15):1228. doi: 10.21037/atm-21-378. [PubMed:34532365 ]
Kleinloog JPD, Tischmann L, Mensink RP, Adam TC, Joris PJ: Longer-term soy nut consumption improves cerebral blood flow and psychomotor speed: results of a randomized, controlled crossover trial in older men and women. Am J Clin Nutr. 2021 Dec 1;114(6):2097-2106. doi: 10.1093/ajcn/nqab289. [PubMed:34510189 ]
Tanaka H, Ito S, Ojika M, Nishimaki-Mogami T, Kondo K, Wakamatsu K: The Oxidation of Equol by Tyrosinase Produces a Unique Di-ortho-Quinone: Possible Implications for Melanocyte Toxicity. Int J Mol Sci. 2021 Aug 24;22(17):9145. doi: 10.3390/ijms22179145. [PubMed:34502054 ]

Showing NP-Card for formononetin methylated (NP0334721)

MOL for NP0334721 (formononetin methylated )

3D MOL for NP0334721 (formononetin methylated )

3D SDF for NP0334721 (formononetin methylated )

3D-SDF for NP0334721 (formononetin methylated )

PDB for NP0334721 (formononetin methylated )

3D PDB for NP0334721 (formononetin methylated )

SMILES for NP0334721 (formononetin methylated )

INCHI for NP0334721 (formononetin methylated )

Structure for NP0334721 (formononetin methylated )

3D Structure for NP0334721 (formononetin methylated )