Compound	Quercetin
NPACT-Id	NPACT00891
IUPAC	2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
Synonyms	Sophoretin; Meletin; Quercetol; Xanthaurine; Flavin meletin; Quercetin dihydrate
PubChem Id	5280343
Class	Flavonoid
In-vitro anticancer activity	17 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	AKT1 \| CCND1 \| CDH1 \| CDH2 \| CDK2 \| CDKN1A \| CDKN1B \| MMP9 \| SNAI1 \| TNF \| TWIST1 \| All \|
Properties	Physical Elemental Topological
InChi Key	REFJWTPEDVJJIY-UHFFFAOYSA-N
InChi	1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
SMILES	o1c2c(c(=O)c(O)c1c1cc(O)c(O)cc1)c(O)cc(O)c2
SMART	[H]OC1=C([H])C(O[H])=C2C(=O)C(O[H])=C(OC2=C1[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]
CAS No.	117-39-5
Structure Download
Cross Refrence in other databases
	Super Natural	000117395
	CTD	D011794
	HIT	C0183
	NCI-60 GI₅₀ data	117-39-5
Suppliers	Abbott Labs, ABI Chem, AKos Consulting & Solutions, Alsachim, Ambinter, Angene International, ASINEX, ChemExper Chemical Directory, ChemFrog, ChemMol, Hangzhou APIChem Technology, MolPort, R&D Chemicals, Selleck Chemicals, 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