Bioactive Compound Details
| BioID | bio622 |
|---|---|
| Name | NAMONIN C |
| ChEMBL ID | CHEMBL499981 |
| Molecular Formula | C44H68O18 |
| Molecular Weight | 885.01 |
| Molecular Weight (Monoisotopic) | 884.4406 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Namonin 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]7O)[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O |
| Inchi | InChI=1S/C44H68O18/c1-16-14-56-44(38(54)36(16)60-39-34(52)32(50)29(47)18(3)57-39)17(2)28-26(62-44)13-24-22-8-7-20-11-21(45)12-27(43(20,6)23(22)9-10-42(24,28)5)59-41-37(31(49)25(46)15-55-41)61-40-35(53)33(51)30(48)19(4)58-40/h7,17-19,21-41,45-54H,1,8-15H2,2-6H3/t17-,18+,19-,21+,22+,23-,24-,25-,26-,27+,28-,29-,30-,31-,32-,33+,34+,35+,36-,37+,38-,39-,40-,41-,42-,43-,44-/m0/s1 |
| Inchi Key | UVCJHBMTEPSNQB-QENZPJGNSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 2.53 |
| Records Key | ['6, Namonin C'] |
| Records Name | ['(23S,24S)-spirosta-5,25(27)-dien-1beta,3beta,23,24-tetrol 1-O-{[alpha-L-rhamnopyranosyl-(1->2)]-alpha-L-arabinopyranoside}24-O-beta-D-fucopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
