Compound	Baicalein
NPACT-Id	NPACT00301
IUPAC	(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Synonyms	Noroxylin
PubChem Id	5281605
Class	Flavonoid
In-vitro anticancer activity	3 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	ALOX12 \| BAX \| BCL2 \| CASP3 \| CCNB1 \| CCND1 \| CDK1 \| CDK4 \| PARP1 \| TP53 \| All \|
Properties	Physical Elemental Topological
InChi Key	FXNFHKRTJBSTCS-UHFFFAOYSA-N
InChi	1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
SMILES	o1c2c(c(O)c(O)c(O)c2)c(=O)cc1c1ccccc1
SMART	[H]OC1=C(O[H])C(O[H])=C2C(=O)C([H])=C(OC2=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]
CAS No.	491-67-8
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C006680
	HIT	C0392
	NCI-60 GI₅₀ data	491-67-8
Suppliers	ABI Chem, AKos Consulting & Solutions, Ambinter, Angene International, Calbiochem, ChemFrog, ChemMol, Hangzhou APIChem Technology, HDH Pharma, MolPort, R&D Chemicals, Selleck Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), 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