| Compound | Asitrilobins A |
| NPACT-Id | NPACT00296 |
| IUPAC | 2-methyl-4-[2,8,13-trihydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl]-2H-furan-5-one |
| Synonyms | - |
| PubChem Id | - |
| 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 | NZDNXQGCQZIBKS-SJYZHZHMSA-N |
| InChi | 1S/C38H70O6/c1-4-5-6-7-8-9-10-11-12-19-24-35(41)37-26-27-38(44-37)36(42)25-20-14-13-16-21-33(39)22-17-15-18-23-34(40)29-32-28-30(2)43-31(32)3/h28,30,33-42H,3-27,29H2,1-2H3/t30-,33-,34+,35-,36-,37-,38+/m0/s1 |
| SMILES | C([C@@H]([C@@H]1CC[C@H]([C@H](CCCCCC[C@@H](CCCCC[C@H](CC2=C[C@@H](OC2=C)C)O)O)O)O1)O)CCCCCCCCCCC |
|
SMART | [#6]CCCCCCCCCCC[C@H](O)[C@@H]1CC[C@@H](O1)[C@@H](O)CCCCCC[C@H](O)CCCCC[C@@H](O)CC1=C[C@H]([#6])OC1=C |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C120122 |
| 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 |