| Compound | Guttiferone A |
| NPACT-Id | NPACT00638 |
| IUPAC | (1R,3E,5S,6R,7S)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6-methyl-1,5,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione |
| Synonyms | - |
| PubChem Id | 5352090 |
| Class | Simple aromatic natural products |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | SHBMQWRFQJLYJU-UGUZKGPTSA-N |
| InChi | 1S/C38H50O6/c1-23(2)11-10-18-36(9)28(14-12-24(3)4)22-37(19-16-25(5)6)33(42)31(32(41)27-13-15-29(39)30(40)21-27)34(43)38(36,35(37)44)20-17-26(7)8/h11-13,15-17,21,28,39-41H,10,14,18-20,22H2,1-9H3/b32-31+/t28-,36+,37-,38+/m0/s1 |
| SMILES | O=C1[C@@]2([C@@]([C@H](C[C@]1(C(=O)/C(=C(O)/c1cc(O)c(O)cc1)/C2=O)CC=C(C)C)CC=C(C)C)(CCC=C(C)C)C)CC=C(C)C |
|
SMART | [H]OC(C1=C([H])C(O[H])=C(O[H])C([H])=C1[H])=C1/C(=O)[C@]2(C(=O)[C@](C1=O)(C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H])[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C2([H])[H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H] |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C558133 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |