| BioID | bio707 |
|---|
| Name | SIGMOSCEPTRELLIN C |
|---|
| ChEMBL ID | CHEMBL517191 |
|---|
| Molecular Formula | C24H40O4 |
|---|
| Molecular Weight | 392.58 |
|---|
| Molecular Weight (Monoisotopic) | 392.2927 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | None |
|---|
| Smiles | C=C1CCC[C@H]2[C@](C)(CC[C@]3(C)CC[C@@H]([C@@H](C)C(=O)O)OO3)[C@@H](C)CC[C@]12C |
|---|
| Inchi | InChI=1S/C24H40O4/c1-16-8-7-9-20-23(16,5)13-10-17(2)24(20,6)15-14-22(4)12-11-19(27-28-22)18(3)21(25)26/h17-20H,1,7-15H2,2-6H3,(H,25,26)/t17-,18+,19-,20+,22-,23+,24+/m0/s1 |
|---|
| Inchi Key | SQNNYRWDFNZPBJ-CMGFHMHLSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 54.0 |
|---|
| Bioactivities | 56.0 |
|---|
| Np Likeness Score | 3.36 |
|---|
| Records Key | ['2b. sigmosceptrellin C'] |
|---|
| Records Name | ['(R)-2-((3S,6R)-6-methyl-6-(2-((1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylenedecahydronaphthalen-1-yl)ethyl)-1,2-dioxan-3-yl)propanoic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
