| BioID | bio1196 |
|---|
| Name | PETIOLIN C |
|---|
| ChEMBL ID | CHEMBL498771 |
|---|
| 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 | Petiolin C |
|---|
| Smiles | CC(C)=CCC[C@@](C)(O)[C@@H]1CC2=C(O1)/C(=C(/O)C(C)C)C(=O)C(C)(C)C2=O |
|---|
| Inchi | InChI=1S/C22H32O5/c1-12(2)9-8-10-22(7,26)15-11-14-18(27-15)16(17(23)13(3)4)20(25)21(5,6)19(14)24/h9,13,15,23,26H,8,10-11H2,1-7H3/b17-16-/t15-,22+/m0/s1 |
|---|
| Inchi Key | IHVZSYWNXZSPFS-YDGRNHKGSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | 2.15 |
|---|
| Records Key | ['3, Petiolin C'] |
|---|
| Records Name | ['(S)-7-(1-hydroxy-2-methylpropylidene)-2-((R)-2-hydroxy-6-methylhept-5-en-2-yl)-5,5-dimethyl-2,3-dihydrobenzofuran-4,6(5H,7H)-dione'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
