Bioactive Compound Details
| BioID | bio1497 |
|---|---|
| Name | DYSOXYLIN C |
| ChEMBL ID | CHEMBL375087 |
| Molecular Formula | C35H50O10 |
| Molecular Weight | 630.78 |
| Molecular Weight (Monoisotopic) | 630.3404 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Dysoxylin C |
| Smiles | CCC(C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](O)C[C@H](OC(C)=O)[C@@](C)([C@@H]23)[C@H]2C[C@H](OC(C)=O)[C@]3(C)C(=CC[C@H]3C3COC(=O)C3)[C@]12C |
| Inchi | InChI=1S/C35H50O10/c1-9-17(2)31(40)45-30-28-29-32(5,16-42-28)24(38)14-26(44-19(4)37)35(29,8)23-13-25(43-18(3)36)33(6)21(20-12-27(39)41-15-20)10-11-22(33)34(23,30)7/h11,17,20-21,23-26,28-30,38H,9-10,12-16H2,1-8H3/t17?,20?,21-,23-,24+,25-,26-,28+,29-,30+,32+,33-,34-,35-/m0/s1 |
| Inchi Key | LGJGIWPBFNKQNM-XIUKTMLMSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 3.1 |
| Records Key | ['3, dysoxylin C'] |
| Records Name | ['dysoxylin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
