Bioactive Compound Details
| BioID | bio1677 |
|---|---|
| Name | CALICOFEROL C |
| ChEMBL ID | CHEMBL515982 |
| Molecular Formula | C28H44O2 |
| Molecular Weight | 412.66 |
| Molecular Weight (Monoisotopic) | 412.3341 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Calicoferol C |
| Smiles | C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C)C(C)C |
| Inchi | InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1 |
| Inchi Key | GKFHBWBDOADOEV-HFOUWSASSA-N |
| Molecular Species | NEUTRAL |
| Targets | 19.0 |
| Bioactivities | 19.0 |
| Np Likeness Score | 2.57 |
| Records Key | ['2', '19', '11'] |
| Records Name | ['Calicoferol C', '(1R,3aS,4S,5R,7aR)-4-(5-hydroxy-2-methylphenethyl)-7a-methyl-1-((R)-6-methyl-5-methyleneheptan-2-yl)octahydro-1H-inden-5-ol', 'Calicoferol C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
