Compound	Baicalin
NPACT-Id	NPACT00302
IUPAC	(3S,4S,7S,8R,9S,10S,13R,14S,17R)-17-[(2R,4R,5R)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-4-(hydroxymethyl)-4,9,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Synonyms	Baicalein 7-O-glucuronide ;7-D-Glucuronic acid-5,6-dihydroxyflavone ;beta-D-Glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl ;5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acidBaicalein-7-D-glucuronide
PubChem Id	64982
Class	Flavonoid
In-vitro anticancer activity	3 cancer cell lines
In-Vivo anticancer activity	No
Targets	BAX \| BCL2 \| CASP12 \| CASP3 \| CYCS \| DDIT3 \| HSPA5 \| All \|
Properties	Physical Elemental Topological
InChi Key	IKIIZLYTISPENI-ZFORQUDYSA-N
InChi	1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
SMILES	O1[C@@H](Oc2cc3oc(cc(=O)c3c(O)c2O)c2ccccc2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(=O)O
SMART	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C(O[H])C(O[H])=C3C(=O)C([H])=C(OC3=C2[H])C2=C([H])C([H])=C([H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
CAS No.	21967-41-9
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C038044
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, AKos Consulting & Solutions, Ambinter, ChemMol, Hangzhou APIChem Technology, Sigma-Aldrich, Therapeutic Targets Database,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	Yes
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

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Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

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