Bioactive Compound Details
| BioID | bio1321 |
|---|---|
| Name | TRIPFORDINE C |
| ChEMBL ID | CHEMBL505030 |
| Molecular Formula | C36H45NO17 |
| Molecular Weight | 763.75 |
| Molecular Weight (Monoisotopic) | 763.2687 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | tripfordine C |
| Smiles | CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](O)[C@@]14O[C@@]3(C)COC(=O)c1cnccc1C(C)C(C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@]4(C)O |
| Inchi | InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-28-26(50-19(5)40)30(52-21(7)42)35(14-47-17(3)38)29(51-20(6)41)25(49-18(4)39)24-27(43)36(35,34(28,9)46)54-33(24,8)13-48-32(45)23-12-37-11-10-22(15)23/h10-12,15-16,24-30,43,46H,13-14H2,1-9H3/t15?,16?,24-,25-,26+,27-,28+,29-,30+,33+,34-,35-,36+/m1/s1 |
| Inchi Key | INDHYPIBEYIOOF-XZFVLTJQSA-N |
| Molecular Species | NEUTRAL |
| Targets | 8.0 |
| Bioactivities | 8.0 |
| Np Likeness Score | 1.93 |
| Records Key | ['3, tripfordine C'] |
| Records Name | [1beta-2beta-7beta-8-beta-11-pentaacetoxy-4alpha-5-alpha-dihydroxy-3alpha-15-[2',3'-dimethyl-3'-(3''-carboxy-4''-pyridyl)-propanoic acid]dicarbolactone dihydroxyagarofuran"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
