| Compound | Caracasine acid |
| NPACT-Id | NPACT00391 |
| IUPAC | (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid |
| Synonyms | - |
| PubChem Id | - |
| Class | Terpenoids |
| In-vitro anticancer activity | 9 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | YXUUMMCRJVEJDN-KMJHBWPFSA-N |
| InChi | 1S/C20H28O3/c1-12(2)15-7-10-20-11-14(13(3)18(20)23)5-6-16(20)19(15,4)9-8-17(21)22/h14-16H,1,3,5-11H2,2,4H3,(H,21,22)/t14-,15+,16-,19-,20-/m1/s1 |
| SMILES | C(CC(=O)O)[C@@]1([C@H](C(=C)C)CC[C@]23[C@@H]1CC[C@H](C2)C(=C)C3=O)C |
|
SMART | [#6]C(=C)[C@@H]1CC[C@@]23C[C@@H](CC[C@@H]2[C@]1([#6])CCC(O)=O)C(=C)C3=O |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| 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 |