Bioactive Compound Details
| BioID | bio571 |
|---|---|
| Name | ABACOPTERIN C |
| ChEMBL ID | CHEMBL251658 |
| Molecular Formula | C24H28O9 |
| Molecular Weight | 460.48 |
| Molecular Weight (Monoisotopic) | 460.1733 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Abacopterin C |
| Smiles | COc1ccc([C@@H]2C[C@@H]3O[C@H]4[C@H](Oc5c(C)c(O)c(C)c(c53)O2)O[C@H](CO)[C@@H](O)[C@@H]4O)cc1 |
| Inchi | InChI=1S/C24H28O9/c1-10-18(26)11(2)22-17-15(31-23-20(28)19(27)16(9-25)32-24(23)33-22)8-14(30-21(10)17)12-4-6-13(29-3)7-5-12/h4-7,14-16,19-20,23-28H,8-9H2,1-3H3/t14-,15-,16+,19+,20-,23+,24-/m0/s1 |
| Inchi Key | BVWNFYIRLQDZHV-QSNPKDTKSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 2.0 |
| Records Key | ['3, Abacopterin C', '3'] |
| Records Name | ['(2S,7aS,9R,10S,11S,11aR,12aS)-9-hydroxymethyl-2-(4-methoxy-phenyl)-4,6-dimethyl-1,9,10,11,11a,12a-hexahydro-2H,7aH-3,7,8,12-tetraoxa-pleiadene-5,10,11-triol', (2S,4S)-6,8-dimethyl-7-hydroxy-4'-methoxy-4,2''-oxidoflavan-5-O-beta-D-glucopyranoside"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
