Systematic / IUPAC Name: 5,7-Dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one
ID: Reference6226
Other Names:
Biochanin;
Biochanin-A;
Biochanine A;
Olmelin;
Pratensol
; more
Formula: C16H12O5
Class: Endogenous Metabolites
Biochanin A mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Elite |
No. of Spectral Trees | 1 |
No. of Spectra | 418 |
Tandem Spectra | MS1, MS2, MS3 |
Ionization Methods | NSI |
Analyzers | IT; FT |
Last Modification | 1/19/2017 7:32:15 AM |
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 |
InChI Key | WUADCCWRTIWANL-UHFFFAOYSA-N |
Canonical SMILES | COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O |
CAS | 491805 |
Splash | |
Other Names |
Biochanin; Biochanin-A; Biochanine A; Olmelin; Pratensol; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-methoxyphenyl)-; 4'-Methoxy-5,7-dihydroxy isoflavone; 4'-Methylgenistein; 4-Methylgenistein; 5,7-Dihydrox-4'-methoxyisoflavone; 5,7-Dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one; 5,7-Dihydroxy-3-(4-methoxyphenyl)chromen-4-one; 5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one; 5,7-Dihydroxy-4'-methoxyisoflavone; Genistein 4'-methyl ether; Genistein 4-methyl ether; Isoflavone, 5,7-dihydroxy-4'-methoxy- |
HMDb | HMDB02338 |
PubChem | 5280373 |
KEGG | C00814 |
ChEMBL | CHEMBL131921 |
ChEBI | CHEBI:17574 |
Wikipedia | Biochanin A |
ChemIDPlus | 000491805 |
ChemSpider | 4444068 |