| BioID | bio523 |
|---|
| Name | MONTANIN C |
|---|
| ChEMBL ID | CHEMBL507606 |
|---|
| Molecular Formula | C24H30O8 |
|---|
| Molecular Weight | 446.5 |
|---|
| Molecular Weight (Monoisotopic) | 446.1941 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | Montanin C |
|---|
| Smiles | CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@H]1CCC[C@]21CO1 |
|---|
| Inchi | InChI=1S/C24H30O8/c1-14-9-20(31-16(3)26)24(13-29-15(2)25)19(5-4-7-22(24)12-30-22)23(14)10-18(32-21(23)27)17-6-8-28-11-17/h6,8,11,14,18-20H,4-5,7,9-10,12-13H2,1-3H3/t14-,18-,19-,20+,22+,23-,24+/m1/s1 |
|---|
| Inchi Key | AFRNHJDBERWLNW-AUBWASTASA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | 3.27 |
|---|
| Records Key | ['2', '15'] |
|---|
| Records Name | ['Montanin C', (2R,4'aS,5'R,5'R,6'R,8'S,8'aR)-8'-(acetyloxy)-5'-(furan-3-yl)-6'-methyl-2'-oxo-octahydrodispiro[oxirane-2,1'-naphthalene-5',3'-oxolane]-8'a-ylmethyl acetate"]" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
