Compound	purpurin
NPACT-Id	NPACT01304
IUPAC	-
Synonyms	Purpurine;1,2,4-Trihydroxyanthraquinone;Hydroxylizaric acid;Verantin;Smoke Brown G;1,2,4-trihydroxyanthracene-9,10-dione;1,2,4-Trihydroxy-9,10-anthracenedione;Anthraquinone, 1,2,4-trihydroxy-;1,2,4-Trihydroxy-9,10-anthraquinone;9,10-Anthracenedione, 1,2,4-trihydroxy-;1,2,4-Trihydroxyanthrachinon;
PubChem Id	6683
Class	Polycyclic aromatic natural products
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	CYP1A1 \| CYP1A2 \| CYP2B6 \| CYP2C8 \| POR \| All \|
Properties	Physical Elemental Topological
InChi Key	BBNQQADTFFCFGB-UHFFFAOYSA-N
InChi	1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
SMILES	Oc1c2c(C(=O)c3c(C2=O)cccc3)c(O)cc1O
SMART	[H]OC1=C([H])C(O[H])=C(O[H])C2=C1C(=O)C1=C([H])C([H])=C([H])C([H])=C1C2=O
CAS No.	81-54-9
Structure Download
Cross Refrence in other databases
	Super Natural	000081549
	CTD	C410870
	HIT	-
	NCI-60 GI₅₀ data	81-54-9
Suppliers	ABI Chem, AKos Consulting & Solutions, Ambinter, ChemExper Chemical Directory, ChemFrog, ChemMol, IS Chemical Technology, MolPort, MP Biomedicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), Therapeutic Targets Database, TimTec, Tractus, 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