Compound	Ellagic acid
NPACT-Id	NPACT00521
IUPAC	-
Synonyms	Benzoaric acid;Lagistase;Eleagic acid;Elagostasine;Llagic acid;Ellagic acid dihydrate
PubChem Id	5281855
Class	Benzopyranoids
In-vitro anticancer activtiy	10 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	CASP3 \| CDK2 \| CDKN1A \| TP53 \| All \|
Properties	Physical Elemental Topological
InChi Key	AFSDNFLWKVMVRB-UHFFFAOYSA-N
InChi	1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
SMILES	o1c2c3c4c(cc(O)c(O)c4oc(=O)c3cc(O)c2O)c1=O
SMART	[H]OC1=C(O[H])C2=C3C(=C1[H])C(=O)OC1=C3C(=C([H])C(O[H])=C1O[H])C(=O)O2
CAS No.	476-66-4
Structure Download
Cross Refrence in other databases
	Super Natural	000476664
	CTD	D004610
	HIT	C0368
	NCI-60 GI₅₀ data	476-66-4
Suppliers	AKos Consulting & Solutions, Ambinter, ChemExper Chemical Directory, ChemFrog, ChemMol, Hangzhou APIChem Technology, IS Chemical Technology, MolPort, R&D Chemicals, Selleck Chemicals, Selleckbio, 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