| BioID | bio1765 |
|---|
| Name | CRASSOCOLIDE C |
|---|
| ChEMBL ID | CHEMBL462999 |
|---|
| Molecular Formula | C22H32O5 |
|---|
| Molecular Weight | 376.49 |
|---|
| Molecular Weight (Monoisotopic) | 376.225 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | Crassocolide C |
|---|
| Smiles | C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/CC[C@@](C)(O)[C@@H](OC(C)=O)C[C@H]12 |
|---|
| Inchi | InChI=1S/C22H32O5/c1-14-8-6-9-15(2)12-19-18(16(3)21(24)27-19)13-20(26-17(4)23)22(5,25)11-7-10-14/h9-10,18-20,25H,3,6-8,11-13H2,1-2,4-5H3/b14-10+,15-9+/t18-,19+,20+,22-/m1/s1 |
|---|
| Inchi Key | MYSVBLKFHOXPIV-GFYKMQRRSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | 3.11 |
|---|
| Records Key | ['3, Crassocolide C'] |
|---|
| Records Name | ['(1R,3S,4R,14S,7E,11E)-3-acetoxy-4-hydroxycembra-7,11,15(17)-trien-16,14-olide'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
