| BioID | bio1078 |
|---|
| Name | SCHISANWILSONENE C |
|---|
| ChEMBL ID | CHEMBL550778 |
|---|
| Molecular Formula | C15H24O2 |
|---|
| Molecular Weight | 236.35 |
|---|
| Molecular Weight (Monoisotopic) | 236.1776 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | Schisanwilsonene C |
|---|
| Smiles | CC(C)(O)[C@@H]1CC[C@@]2(C)CCC(C=O)=CC[C@H]12 |
|---|
| Inchi | InChI=1S/C15H24O2/c1-14(2,17)12-7-9-15(3)8-6-11(10-16)4-5-13(12)15/h4,10,12-13,17H,5-9H2,1-3H3/t12-,13-,15-/m1/s1 |
|---|
| Inchi Key | AHLZXJMYBAUIEQ-UMVBOHGHSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 8.0 |
|---|
| Np Likeness Score | 3.16 |
|---|
| Records Key | ['3, Schisanwilsonene C'] |
|---|
| Records Name | ['(1R*,3aS*,8aR*,E)-1-(2-hydroxypropan-2-yl)-3a-methyl-1,2,3,3a,4,5,8,8a-octahydroazulene-6-carbaldehyde'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
