| 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 | 
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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 Search | Human metabolite database | FDA approved drugs |