Bioactive Compound Details
| BioID | bio1779 |
|---|---|
| Name | DRACONIN C |
| ChEMBL ID | CHEMBL504939 |
| Molecular Formula | C40H60O15 |
| Molecular Weight | 780.91 |
| Molecular Weight (Monoisotopic) | 780.3932 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | draconin C |
| Smiles | C=C1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)C[C@@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7OC(C)=O)[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)[C@H]1O |
| Inchi | InChI=1S/C40H60O15/c1-16-14-50-40(35(48)29(16)44)17(2)28-26(55-40)13-24-22-8-7-20-11-21(42)12-27(39(20,6)23(22)9-10-38(24,28)5)53-36-33(31(46)25(43)15-49-36)54-37-34(52-19(4)41)32(47)30(45)18(3)51-37/h7,17-18,21-37,42-48H,1,8-15H2,2-6H3/t17-,18-,21+,22+,23-,24-,25-,26-,27+,28-,29-,30-,31-,32+,33+,34+,35-,36-,37-,38-,39-,40-/m0/s1 |
| Inchi Key | YYYQAUCUWHBYHS-CPMLXNJUSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 3.09 |
| Records Key | ['3, draconin C'] |
| Records Name | ['(23S,24S)-spirosta-5,25(27)-diene-1beta,3beta,23,24-tetrol 1-O-{O-(2-O-acetyl-alpha-Lrhamnopyranosyl)-(1->2)-alpha-L-arabinopyranosyl}'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
