Compound	Isopsoralen
NPACT-Id	NPACT00678
IUPAC	furo[2,3-h]chromen-2-one
Synonyms	Angecin;Angelicin (coumarin derivative);Furo(2,3-h)coumarin;Angelicin (coumarin deriv);furo[2,3-h]chromen-2-one;Furo(5',4':7,8)coumarin
PubChem Id	10658
Class	Benzopyranoids
In-vitro anticancer activity	4 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	XDROKJSWHURZGO-UHFFFAOYSA-N
InChi	1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H
SMILES	o1c2c(c3oc(=O)ccc3cc2)cc1
SMART	[H]C1=C([H])C2=C(O1)C([H])=C([H])C1=C2OC(=O)C([H])=C1[H]
CAS No.	523-50-2
Structure Download
Cross Refrence in other databases
	Super Natural	000523502
	CTD	C011659
	HIT	C0326
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, ChemFrog, Chemical Synthesis Database, ChemMol, IS Chemical Technology, MolPort, Sigma-Aldrich, 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