| Compound | Calamistrin D |
| NPACT-Id | NPACT00368 |
| IUPAC | (2S)-4-[(3R,13R)-3,13-dihydroxy-13-[(2R,5R)-5-[(Z,1R)-1-hydroxytetradec-4-enyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one |
| Synonyms | - |
| PubChem Id | 10371515 |
| Class | Polyketides |
| In-vitro anticancer activity | 3 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | JOHOCUBTTQAHLI-NWGXSNPTSA-N |
| InChi | 1S/C37H68O6/c1-3-4-5-6-7-12-15-20-25-33(39)35-27-28-36(43-35)34(40)26-21-16-19-24-32(38)23-18-14-11-9-8-10-13-17-22-31-29-30(2)42-37(31)41/h29-30,32-36,38-40H,3-28H2,1-2H3/t30-,32?,33-,34+,35+,36+/m0/s1 |
| SMILES | O1[C@H](CC[C@@H]1[C@@H](O)CCCCCCCCCC)[C@H](O)CCCCC[C@@H](O)CCCCCCCCCCC1=C[C@@H](OC1=O)C |
|
SMART | [#6]CCCCCCCCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCCC[C@@H](O)CCCCCCCCCCC1=C[C@H]([#6])OC1=O |
| 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 |