| Compound | 1,2-Di-O-(9Z,12Z,15Z-octadecatrienoyl)-3-O-(6-p-hydroxy-phenyl-propionamido-6-deoxy-alpha-D-glucosyl)-glycerol |
| NPACT-Id | NPACT01545 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| Class | Aliphatic natural products |
| In-vitro anticancer activity | 3 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | MXHQMADMQRFPEW-YTWBPVBXSA-N |
| InChi | 1S/C54H83NO11/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-49(58)63-42-46(65-50(59)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)43-64-54-53(62)52(61)51(60)47(66-54)41-55-48(57)40-37-44-35-38-45(56)39-36-44/h5-8,11-14,17-20,35-36,38-39,46-47,51-54,56,6 |
| SMILES | C(C(COC1OC(C(C(C1O)O)O)CNC(=O)CCc1ccc(cc1)O)OC(=O)CCCCCCC/C=CC/C=CC/C=CCC)OC(=O)CCCCCCC/C=CC/C=CC/C=CCC |
|
SMART | [#6]CC=C/CC=C/CC=C/CCCCCCCC(=O)OCC(COC1OC(CNC(=O)CCC2=CC=C(O)C=C2)C(O)C(O)C1O)OC(=O)CCCCCCCC=C/CC=C/CC=C/C[#6] |
| CAS No. | - |
|
Structure
Download | 
|
| 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 |