Compound	Scopoletin
NPACT-Id	NPACT00941
IUPAC	7-hydroxy-6-methoxychromen-2-one
Synonyms	Gelseminic acid; Chrysatropic acid; 6-Methylesculetin; Murrayetin; Scopoletine; Scopoletol; Escopoletin; beta-Methylesculetin
PubChem Id	5280460
Class	Benzopyranoids
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	AHR \| birc5a \| CASP3 \| CCND1 \| CYPIA1 \| MMP2 \| MYC \| PCNA \| STAT3 \| TIMP2 \| TP53 \| All \|
Properties	Physical Elemental Topological
InChi Key	RODXRVNMMDRFIK-UHFFFAOYSA-N
InChi	1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
SMILES	o1c2c(cc(OC)c(O)c2)ccc1=O
SMART	[H]OC1=C(OC([H])([H])[H])C([H])=C2C([H])=C([H])C(=O)OC2=C1[H]
CAS No.	92-61-5
Structure Download
Cross Refrence in other databases
	Super Natural	000092615
	CTD	D012603
	HIT	-
	NCI-60 GI₅₀ data	92-61-5
Suppliers	ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, Biosynth, ChemExper Chemical Directory, ChemFrog, Chemical Synthesis Database, IS Chemical Technology, MolPort, MP Biomedicals, R&D 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	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase