NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundIsopsoralen
NPACT-IdNPACT00678
IUPACfuro[2,3-h]chromen-2-one
SynonymsAngecin;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 Id10658
ClassBenzopyranoids
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXDROKJSWHURZGO-UHFFFAOYSA-N
InChi1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H
SMILESo1c2c(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
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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 SearchHuman metabolite databaseFDA approved drugs

 






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