| Compound | Squamocin-D |
| NPACT-Id | NPACT00956 |
| IUPAC | (2S)-4-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one |
| Synonyms | - |
| PubChem Id | 10100453 |
| Class | Polyketides |
| In-vitro anticancer activity | 5 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | DAEFUOXKPZLQMM-WGCJABNLSA-N |
| InChi | 1S/C37H66O7/c1-3-4-5-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(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]([C@@H]2O[C@H](CC2)[C@H](O)CCCCCCCCCCCCC2=C[C@@H](OC2=O)C)CC[C@@H]1[C@H](O)CCC[C@@H](O)CCCCCC |
|
SMART | [#6]CCCCC[C@H](O)CCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H]([#6])OC1=O |
| CAS No. | 156199-51-8 |
|
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 |