Biochanin A

C₁₆H₁₂O₅CAS 491-80-5284.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₂O₅
Molar mass: 284.27 g/mol
Exact mass: 284.0685 Da
Melting point: 189–191 °C
Boiling point: 340–355 °C (at 0.5 Torr)
logP: 2.88Crippen estimate
Polar surface area: 79.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

491-80-5

SMILES

COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1

InChIKey

WUADCCWRTIWANL-UHFFFAOYSA-N

InChI

InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names

4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-methoxyphenyl)-
Isoflavone, 5,7-dihydroxy-4′-methoxy-
5,7-Dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one
5,7-Dihydroxy-4′-methoxyisoflavone
Genistein 4-methyl ether
4′-Methylgenistein
(-)-5,7-Dihydroxy-4′-methoxyisoflavone
Biochanin
Olmelin
Genistein 4′-methyl ether
NSC 123538

Work with Biochanin A

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Hydroxy-4',7-dimethoxyisoflavone34086-51-682 % similar Prunetin552-59-079 % similar Genistein446-72-075 % similar Formononetin485-72-367 % similar Kaempferide491-54-363 % similar Tectorigenin548-77-662 % similar Sophoricoside152-95-458 % similar 4',7-Dimethoxyisoflavone1157-39-757 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(-)-Maackiain19908-48-6 (-)-Maackiain2035-15-6 Calycosin20575-57-9 Glycitein40957-83-3 Genkwanin437-64-9 Obtusifolin477-85-0 Oroxylin A480-11-5 Acacetin480-44-4

Elsewhere

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