| Compound | (-)Garcinialiptone A |
| NPACT-Id | NPACT00003 |
| IUPAC | (1S,3R,5S,7R,8S)-1-(3,4-dihydroxybenzoyl)-6,6-dimethyl-5-(3-methylbut-2-enyl)-8-(2-methylprop-1-enyl)-3-(5-methyl-2-prop-1-en-2-ylhex-5-enyl)adamantane-2,4,9-trione |
| Synonyms | - |
| PubChem Id | 46209649 |
| Class | Simple aromatic natural products |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | DKHLFUGLTCKVOA-HXBTULIHSA-N |
| InChi | 1S/C38H48O6/c1-21(2)11-12-26(24(7)8)19-36-20-28-27(17-23(5)6)38(33(36)43,31(41)25-13-14-29(39)30(40)18-25)34(44)37(32(36)42,35(28,9)10)16-15-22(3)4/h13-15,17-18,26-28,39-40H,1,7,11-12,16,19-20H2,2-6,8-10H3/t26?,27-,28+,36+,37-,38-/m0/s1 |
| SMILES | O=C1[C@@]2(C([C@H]3[C@@H]([C@@](C2=O)(C(=O)[C@@]1(C3)C[C@@H](CCC(=C)C)C(=C)C)C(=O)c1cc(O)c(O)cc1)C=C(C)C)(C)C)CC=C(C)C |
|
SMART | [#6]C([#6])=CC[C@]12C(=O)[C@@]3(C[C@@H](CCC([#6])=C)C([#6])=C)C[C@H]([C@H](C=C([#6])[#6])[C@](C(=O)C4=CC(O)=C(O)C=C4)(C3=O)C1=O)[C@]2([#6])[#6] |
| 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 | No |
| Ghose filter | No |
| Veber filter | No |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |