| Compound | (2,4-cis and trans)-gigantecinone |
| NPACT-Id | NPACT00009 |
| IUPAC | (5R)-5-[5-[(2R,5S)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]butyl]oxolan-2-yl]pentyl]-3-(2-oxopropyl)oxolan-2-one |
| Synonyms | - |
| PubChem Id | 10627889 |
| Class | Polyketides |
| In-vitro anticancer activity | 6 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | SIKLPUJCNJTZFZ-YUECQCAUSA-N |
| InChi | 1S/C37H66O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-29(43-34)16-13-12-14-17-30-26-28(25-27(2)38)37(42)44-30/h28-36,39-41H,3-26H2,1-2H3/t28?,29-,30-,31-,32+,33-,34+,35-,36-/m1/s1 |
| SMILES | O1[C@H](CC[C@@H]1[C@H](O)CCCCCCCCCCCC)[C@H](O)CC[C@H](O)[C@H]1O[C@@H](CC1)CCCCC[C@H]1OC(=O)[C@H](C1)CC(=O)C |
|
SMART | [H]O[C@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]1([H])O[C@]([H])(C([H])([H])C1([H])[H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@@]1([H])O[C@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])OC(=O)[C@@]([H])(C([H])([H])C(=O)C([H])([H])[H])C2([H])[H])C([H])([H])C1([H])[H] |
| 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 |