Compound	Puerarin
NPACT-Id	NPACT00886
IUPAC	7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Synonyms	Kakonein;8-(beta-D-Glucopyranosyl-7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
PubChem Id	5281807
Class	Flavonoid
In-vitro anticancer activity	3 cancer cell lines
In-Vivo anticancer activity	No
Targets	BAX \| BCL2 \| CASP3 \| CASP9 \| CDKN1A \| MYC \| TP53 \| All \|
Properties	Physical Elemental Topological
InChi Key	HKEAFJYKMMKDOR-VPRICQMDSA-N
InChi	1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1
SMILES	O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1c2occ(c(=O)c2ccc1O)c1ccc(O)cc1
SMART	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])OC2=C(C([H])=C([H])C(O[H])=C2[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C1=O
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C033607
	HIT	C0539
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, AKos Consulting & Solutions, ChemMol, Hangzhou APIChem Technology, R&D Chemicals, Sigma-Aldrich, ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase