| Compound | 4-deoxygigantecin |
| NPACT-Id | NPACT00159 |
| IUPAC | (2S)-4-[7-[(2R,5S)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]butyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one |
| Synonyms | - |
| PubChem Id | 393463 |
| 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 | AUIKUKHBIJHVLQ-QMSPDADRSA-N |
| InChi | 1S/C37H66O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(38)35-25-26-36(44-35)33(40)23-22-32(39)34-24-21-30(43-34)19-16-13-11-12-15-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30+,31+,32-,33+,34-,35+,36+/m0/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)CCCCCCCC1=C[C@@H](OC1=O)C |
|
SMART | [#6]CCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CC[C@H](O)[C@@H]1CC[C@@H](CCCCCCCC2=C[C@H]([#6])OC2=O)O1 |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C108757 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, |
| 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 |