Bioactive Compound Details
| BioID | bio887 |
|---|---|
| Name | DEOXAPHOMIN C |
| ChEMBL ID | CHEMBL2018717 |
| Molecular Formula | C29H37NO3 |
| Molecular Weight | 447.62 |
| Molecular Weight (Monoisotopic) | 447.2773 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Deoxaphomin C |
| Smiles | CC1=C[C@@H]2/C=C/C[C@H](C)CCC[C@@H](O)/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C |
| Inchi | InChI=1S/C29H37NO3/c1-19-9-7-13-23-17-20(2)21(3)27-25(18-22-11-5-4-6-12-22)30-28(33)29(23,27)26(32)16-15-24(31)14-8-10-19/h4-7,11-13,15-17,19,21,23-25,27,31H,8-10,14,18H2,1-3H3,(H,30,33)/b13-7+,16-15+/t19-,21+,23-,24+,25-,27-,29+/m0/s1 |
| Inchi Key | QSSICOOAJDSOCS-YKNYXAGUSA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 2.47 |
| Records Key | ['3, Deoxaphomin C'] |
| Records Name | ['(6Z,13E,21E)-(16R,20R)-20-hydroxy-16-methyl-10-phenyl-[14]cytochalasa-6,13,21-triene-1,23-dione'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
