Compound	Hesperetin
NPACT-Id	NPACT00659
IUPAC	(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
Synonyms	Hesperitin;Hesperin;3',5,7-Trihydroxy-4'-methoxyflavanone
PubChem Id	72281
Class	Flavonoid
In-vitro anticancer activity	4 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	BAX \| BCL2 \| BCL2L1 \| CASP3 \| CCNB1 \| CCND1 \| CDC25C \| CDK1 \| CDK2 \| CDK4 \| CDKN1A \| CDKN1B \| CDKN1C \| CYP19A1 \| CYP1A1 \| PARP1 \| TFF1 \| All \|
Properties	Physical Elemental Topological
InChi Key	AIONOLUJZLIMTK-AWEZNQCLSA-N
InChi	1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
SMILES	O1[C@@H](CC(=O)c2c1cc(O)cc2O)c1cc(O)c(OC)cc1
SMART	[H]OC1=C([H])C(O[H])=C2C(O[C@]([H])(C3=C([H])C(O[H])=C(OC([H])([H])[H])C([H])=C3[H])C([H])([H])C2=O)=C1[H]
CAS No.	520-33-2
Structure Download
Cross Refrence in other databases
	Super Natural	000520263
	CTD	C013015
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, Ambinter, ChemMol, R&D Chemicals, Selleck Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), Therapeutic Targets Database, TimTec, 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