| Compound | Calamistrin G |
| NPACT-Id | NPACT00371 |
| IUPAC | [(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl](E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Synonyms | - |
| PubChem Id | 10100452 |
| 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 | ORSYGIAIOCQPJE-UOCXRWNNSA-N |
| InChi | 1S/C37H66O7/c1-3-4-5-6-13-16-19-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)20-17-14-11-9-7-8-10-12-15-18-30(38)22-21-29-27-28(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)CCCCCCCC)CC[C@@H]1[C@H](O)CCCCCCCCCCC[C@@H](O)CCC1=C[C@@H](OC1=O)C |
|
SMART | [#6]CCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCC[C@@H](O)CCC1=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 |