| Compound | Buddledin A |
| NPACT-Id | NPACT00352 |
| IUPAC | (1S,5E,8R,9R)-8-hydroxy-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undec-5-en-7-one |
| Synonyms | - |
| PubChem Id | 5477391 |
| Class | Terpenoids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | SXWKLEULMBLXJM-FLIBITNWSA-N |
| InChi | 1S/C17H24O3/c1-10-7-6-8-11(2)15(19)16(20-12(3)18)14-13(10)9-17(14,4)5/h8,13-14,16H,1,6-7,9H2,2-5H3/b11-8- |
| SMILES | O([C@@H]1[C@@H]2C(C[C@@H]2C(=C)CCC=C(C1=O)C)(C)C)C(=O)C |
|
SMART | [H]C([H])=C1C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])/C(=O)[C@]([H])(OC(=O)C([H])([H])[H])[C@@]2([H])[C@]1([H])C([H])([H])[C@@]2(C([H])([H])[H])C([H])([H])[H] |
| CAS No. | 62346-20-7 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, |
| 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 |