| Compound | alpha-santonin |
| NPACT-Id | NPACT01125 |
| IUPAC | - |
| Synonyms | Santoninic anhydride;481-06-1;alpha.-Santonin;(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione |
| PubChem Id | 221071 |
| Class | Terpenoids |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | XJHDMGJURBVLLE-BOCCBSBMSA-N |
| InChi | 1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1 |
| SMILES | O1[C@H]2[C@@H](CC[C@@]3(C2=C(C(=O)C=C3)C)C)[C@@H](C1=O)C |
|
SMART | [H]C1=C([H])[C@]2(C(=C(C1=O)C([H])([H])[H])[C@@]1([H])OC(=O)[C@@]([H])(C([H])([H])[H])[C@]1([H])C([H])([H])C2([H])[H])C([H])([H])[H] |
| CAS No. | 481-06-1 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | 000481061 |
| CTD | D012500 |
| HIT | - |
| NCI-60 GI50 data | 481-06-1 |
| Suppliers | ABI Chem, Amadis Chemical, Ambinter, ChemExper Chemical Directory, MolPort, R&D Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical
Industry), 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 |