Bioactive Compound Details
| BioID | bio1724 |
|---|---|
| Name | PORICOTRIOL C |
| ChEMBL ID | CHEMBL1765423 |
| Molecular Formula | C31H50O2 |
| Molecular Weight | 454.74 |
| Molecular Weight (Monoisotopic) | 454.3811 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | poricotriol C |
| Smiles | C=C(CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=CC[C@@H](C(=C)C)[C@](C)(CCCO)C3=CC[C@]12C)C(C)C |
| Inchi | InChI=1S/C31H50O2/c1-21(2)23(5)10-11-24(20-33)26-14-17-31(8)28-13-12-25(22(3)4)29(6,16-9-19-32)27(28)15-18-30(26,31)7/h13,15,21,24-26,32-33H,3,5,9-12,14,16-20H2,1-2,4,6-8H3/t24-,25-,26+,29-,30+,31-/m0/s1 |
| Inchi Key | LDWVZRRXYBSROZ-CBKWYONESA-N |
| Molecular Species | NEUTRAL |
| Targets | 7.0 |
| Bioactivities | 8.0 |
| Np Likeness Score | 3.41 |
| Records Key | ['2c, poricotriol C'] |
| Records Name | [Poricotriol C[(20R)-3,4-seco-24-Methyllanosta-4(28),7,9(11),24(24')-tetraene-3,21-diol]"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
