Bioactive Compound Details
| BioID | bio1413 |
|---|---|
| Name | DEMETHOXYFUMITREMORGIN C |
| ChEMBL ID | CHEMBL39346 |
| Molecular Formula | C21H23N3O2 |
| Molecular Weight | 349.43 |
| Molecular Weight (Monoisotopic) | 349.179 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Demethoxyfumitremorgin C |
| Smiles | CC(C)=C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 |
| Inchi | InChI=1S/C21H23N3O2/c1-12(2)10-17-19-14(13-6-3-4-7-15(13)22-19)11-18-20(25)23-9-5-8-16(23)21(26)24(17)18/h3-4,6-7,10,16-18,22H,5,8-9,11H2,1-2H3/t16-,17-,18-/m0/s1 |
| Inchi Key | LQXCSIKDOISJTI-BZSNNMDCSA-N |
| Molecular Species | NEUTRAL |
| Targets | 15.0 |
| Bioactivities | 30.0 |
| Np Likeness Score | 0.9 |
| Records Key | ['12-epi-3', '3', '11', '4'] |
| Records Name | [(epi)12-(2-methyl-1-propenyl)-(5aS,12S,14aS)-2,3,5a,6,11,12,14,14a-octahydro-1H,5H-pyrrolo[1',2':4,5]pyrazino[1,2-b]b-carboline-5,14-dione", "2-(2-methyl-1-propenyl)-(5aS,12S,14aS)-2,3,5a,6,11,12,14,14a-octahydro-1H,5H-pyrrolo[1',2':4,5]pyrazino[1,2-b]b-carboline-5,14-dione", 'demethoxyfumitremorgin C', None]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
