Bioactive Compound Details
| BioID | bio760 |
|---|---|
| Name | TRIPTERSININ C |
| ChEMBL ID | CHEMBL2335692 |
| Molecular Formula | C34H39NO11 |
| Molecular Weight | 637.68 |
| Molecular Weight (Monoisotopic) | 637.2523 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Triptersinin C |
| Smiles | CC(=O)OC[C@@]12[C@@H](OC(=O)/C=C/c3ccccc3)CC[C@](C)(O)[C@]13OC(C)(C)[C@H]([C@@H](OC(C)=O)[C@H]2OC(=O)c1cccnc1)[C@H]3O |
| Inchi | InChI=1S/C34H39NO11/c1-20(36)42-19-33-24(44-25(38)14-13-22-10-7-6-8-11-22)15-16-32(5,41)34(33)28(39)26(31(3,4)46-34)27(43-21(2)37)29(33)45-30(40)23-12-9-17-35-18-23/h6-14,17-18,24,26-29,39,41H,15-16,19H2,1-5H3/b14-13+/t24-,26+,27+,28+,29+,32-,33-,34-/m0/s1 |
| Inchi Key | NNKJYMDNJZVRFF-WBACSVBBSA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 2.22 |
| Records Key | ['3, Triptersinin C'] |
| Records Name | ['rel-1beta-trans-cinnamoyl-4alpha,5alpha-dihydroxy-7beta,11-diacetoxy-8beta-nicotinoyldihydroagarofuran'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
