NP-MRD: Showing NP-Card for (3R)-4'-Methoxy-3,7,2'-trihydroxyisoflavanone (NP0062642)

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Record Information

Version

2.0

Created at

2022-04-28 07:14:41 UTC

Updated at

2022-04-28 07:14:41 UTC

NP-MRD ID

NP0062642

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3R)-4'-Methoxy-3,7,2'-trihydroxyisoflavanone

Description

(3R)-4'-Methoxy-2',3,7-trihydroxyisoflavanone belongs to the class of organic compounds known as 4'-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C4' atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one. (3R)-4'-Methoxy-3,7,2'-trihydroxyisoflavanone is found in Dalbergia odorifera . (3R)-4'-Methoxy-3,7,2'-trihydroxyisoflavanone was first documented in 2005 (PMID: 15935596). Based on a literature review a small amount of articles have been published on (3R)-4'-Methoxy-2',3,7-trihydroxyisoflavanone (PMID: 22117168) (PMID: 16252255) (PMID: 16233995).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 36 38  0  0  0  0  0  0  0  0999 V2000
    6.1811    0.6751    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2603    0.4617   -0.6598 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8941    0.2537   -0.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4327    0.2536    0.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0993    0.0506    1.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1675   -0.1624    0.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2418   -0.3970    0.5574 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3667   -0.3099    1.9721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7193   -1.7601    0.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9767   -1.7839   -0.4102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9551   -0.8274   -0.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2988   -1.0439   -0.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1894    0.0228   -0.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5461   -0.2608   -0.4991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7185    1.3148   -0.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3728    1.5610   -0.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5037    0.4832   -0.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0626    0.6668   -0.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5816    1.7464   -0.5021 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6288   -0.1606   -1.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7615   -0.3598   -2.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9858    0.0459   -1.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8546    1.5962    0.9461 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1981    0.8250    0.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1141   -0.2028    1.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1680    0.4199    1.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625    0.0548    2.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007   -1.1679    2.3149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8570   -2.4178    1.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0098   -2.2482   -0.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6282   -2.0656   -0.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2284    0.4953   -0.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4119    2.1340   -0.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9504    2.5683    0.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2267   -0.5018   -2.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171    0.0407   -2.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6 20  1  0
 20 21  1  0
 20 22  2  0
  6  7  1  0
  7  8  1  1
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 22  3  1  0
 18  7  1  0
 17 11  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  4 26  1  0
  5 27  1  0
 21 35  1  0
 22 36  1  0
  8 28  1  0
  9 29  1  0
  9 30  1  0
 12 31  1  0
 14 32  1  0
 15 33  1  0
 16 34  1  0
M  END


  Mrv1652304282209142D          

 22 24  0  0  1  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9679   -1.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4051   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2296   -0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6169   -1.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1797   -2.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3552   -1.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180   -2.6944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4414   -1.3527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8287   -2.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5806   -1.9371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  1  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
  9 21  1  6  0  0  0
  1 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0062642

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(C(O)=C1)[C@]1(O)COC2=CC(O)=CC=C2C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C16H14O6/c1-21-10-3-5-12(13(18)7-10)16(20)8-22-14-6-9(17)2-4-11(14)15(16)19/h2-7,17-18,20H,8H2,1H3/t16-/m1/s1

> <INCHI_KEY>
KZBMBIHZXUQFOR-MRXNPFEDSA-N

> <FORMULA>
C16H14O6

> <MOLECULAR_WEIGHT>
302.282

> <EXACT_MASS>
302.079038171

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
29.512626796061134

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3S)-3,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

> <ALOGPS_LOGP>
1.38

> <JCHEM_LOGP>
1.6320345069999997

> <ALOGPS_LOGS>
-2.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.721007492699432

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.6763313235112935

> <JCHEM_PKA_STRONGEST_BASIC>
-4.404413921452179

> <JCHEM_POLAR_SURFACE_AREA>
96.22000000000001

> <JCHEM_REFRACTIVITY>
77.40480000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.24e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3S)-3,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       2.667  -0.000   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       5.540  -2.364   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.356  -1.058   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.895  -1.111   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.618  -2.471   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.802  -3.777   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.263  -3.723   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       5.447  -5.029   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      10.157  -2.525   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      10.880  -3.885   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       4.817  -3.616   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
CONECT    1    2    6   22                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   10                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   12   21                                             
CONECT   10    9    4   11                                                  
CONECT   11   10                                                            
CONECT   12    9   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   19                                                  
CONECT   16   15   17                                                       
CONECT   17   16   12   18                                                  
CONECT   18   17                                                            
CONECT   19   15   20                                                       
CONECT   20   19                                                            
CONECT   21    9                                                            
CONECT   22    1                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₁₄O₆

Average Mass

302.2820 Da

Monoisotopic Mass

302.07904 Da

IUPAC Name

(3S)-3,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

Traditional Name

(3S)-3,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-4-one

CAS Registry Number

Not Available

SMILES

COC1=CC=C(C(O)=C1)[C@]1(O)COC2=CC(O)=CC=C2C1=O

InChI Identifier

InChI=1S/C16H14O6/c1-21-10-3-5-12(13(18)7-10)16(20)8-22-14-6-9(17)2-4-11(14)15(16)19/h2-7,17-18,20H,8H2,1H3/t16-/m1/s1

InChI Key

KZBMBIHZXUQFOR-MRXNPFEDSA-N

Experimental Spectra

Not Available

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

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Dalbergia odorifera	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 4'-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C4' atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

O-methylated isoflavonoids

Direct Parent

4'-O-methylated isoflavonoids

Alternative Parents

Substituents

4p-methoxyisoflavonoid
Isoflavanol
Hydroxyisoflavonoid
Isoflavanone
Isoflavan
Chromone
Chromane
Benzopyran
Methoxyphenol
1-benzopyran
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Aryl ketone
Aryl alkyl ketone
Alkyl aryl ether
Phenol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Acyloin
Benzenoid
Monocyclic benzene moiety
Tertiary alcohol
Ketone
Organoheterocyclic compound
Oxacycle
Ether
Hydrocarbon derivative
Organooxygen compound
Organic oxide
Alcohol
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

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	1.38	ALOGPS
logP	1.63	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	7.68	ChemAxon
pKa (Strongest Basic)	-4.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	96.22 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	77.4 m³·mol⁻¹	ChemAxon
Polarizability	29.51 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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00050616

Chemspider ID

4477784

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5319494

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Liu RX, Wang Q, Guo HZ, Li L, Bi KS, Guo DA: Simultaneous determination of 10 major flavonoids in Dalbergia odorifera by high performance liquid chromatography. J Pharm Biomed Anal. 2005 Sep 15;39(3-4):469-76. doi: 10.1016/j.jpba.2005.04.007. [PubMed:15935596 ]
Zhao X, Mei W, Gong M, Zuo W, Bai H, Dai H: Antibacterial activity of the flavonoids from Dalbergia odorifera on Ralstonia solanacearum. Molecules. 2011 Nov 25;16(12):9775-82. doi: 10.3390/molecules16129775. [PubMed:22117168 ]
Liu R, Wang W, Wang Q, Bi K, Guo D: Identification and determination of major flavonoids in rat urine by HPLC-UV and HPLC-MS methods following oral administration of Dalbergia odorifera extract. Biomed Chromatogr. 2006 Jan;20(1):101-8. doi: 10.1002/bmc.535. [PubMed:16252255 ]
Liu R, Sun J, Bi K, Guo DA: Identification and determination of major flavonoids in rat serum by HPLC-UV and HPLC-MS methods following oral administration of Dalbergiaodorifera extract. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Dec 27;829(1-2):35-44. doi: 10.1016/j.jchromb.2005.09.025. Epub 2005 Oct 17. [PubMed:16233995 ]

Showing NP-Card for (3R)-4'-Methoxy-3,7,2'-trihydroxyisoflavanone (NP0062642)

MOL for NP0062642 ((3R)-4'-Methoxy-3,7,2'-trihydroxyisoflavanone)

3D MOL for NP0062642 ((3R)-4'-Methoxy-3,7,2'-trihydroxyisoflavanone)

3D SDF for NP0062642 ((3R)-4'-Methoxy-3,7,2'-trihydroxyisoflavanone)

3D-SDF for NP0062642 ((3R)-4'-Methoxy-3,7,2'-trihydroxyisoflavanone)

PDB for NP0062642 ((3R)-4'-Methoxy-3,7,2'-trihydroxyisoflavanone)

3D PDB for NP0062642 ((3R)-4'-Methoxy-3,7,2'-trihydroxyisoflavanone)

SMILES for NP0062642 ((3R)-4'-Methoxy-3,7,2'-trihydroxyisoflavanone)

INCHI for NP0062642 ((3R)-4'-Methoxy-3,7,2'-trihydroxyisoflavanone)

Structure for NP0062642 ((3R)-4'-Methoxy-3,7,2'-trihydroxyisoflavanone)

3D Structure for NP0062642 ((3R)-4'-Methoxy-3,7,2'-trihydroxyisoflavanone)