Compound	Biochanin A
NPACT-Id	NPACT00335
IUPAC	6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
Synonyms	4'-Methylgenistein; Genistein 4-methyl ether; olmelin; Pratensol
PubChem Id	5280373
Class	Flavonoid
In-vitro anticancer activity	9 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	CDKN1A \| PLK1 \| All \|
Properties	Physical Elemental Topological
InChi Key	WUADCCWRTIWANL-UHFFFAOYSA-N
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
SMILES	o1c2c(c(=O)c(c3ccc(OC)cc3)c1)c(O)cc(O)c2
SMART	[H]OC1=C([H])C(O[H])=C2C(=O)C(=C([H])OC2=C1[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]
CAS No.	491-80-5
Structure Download
Cross Refrence in other databases
	Super Natural	000491805
	CTD	C004541
	HIT	-
	NCI-60 GI₅₀ data	491-80-5
Suppliers	ABBLIS Chemicals, ABI Chem, AKos Consulting & Solutions, Ambinter, ChemFrog, ChemMol, IS Chemical Technology, MolPort, MP Biomedicals, R&D Chemicals, Selleck Chemicals, Sigma-Aldrich, Therapeutic Targets Database, TimTec, Vitas-M Laboratory, ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	Yes
	Veber filter	Yes
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase