| Compound | Auraptene |
| NPACT-Id | NPACT00300 |
| IUPAC | 5,6,7-trihydroxy-2-phenylchromen-4-one |
| Synonyms | 7-Geranyloxycoumarin |
| PubChem Id | 1550607 |
| Class | Benzopyranoids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | CCND1 | COX-2 | PTGER3 | TNF | All | |
| Properties | Physical Elemental Topological |
| InChi Key | RSDDHGSKLOSQFK-RVDMUPIBSA-N |
| InChi | 1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+ |
| SMILES | O(C/C=C(/CCC=C(C)C)C)c1cc2oc(=O)ccc2cc1 |
|
SMART | [H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])OC1=C([H])C2=C(C([H])=C([H])C(=O)O2)C([H])=C1[H])C([H])([H])[H] |
| CAS No. | 495-02-3 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C105832 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, Ambinter, ChemBridge, MolPort, 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 |