| BioID | bio348 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1823116 |
|---|
| Molecular Formula | C14H18O6S |
|---|
| Molecular Weight | 314.36 |
|---|
| Molecular Weight (Monoisotopic) | 314.0824 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | (2S,3S)-Sulfated pterosin C |
|---|
| Smiles | Cc1cc2c(c(C)c1CCOS(=O)(=O)O)C(=O)[C@@H](C)[C@@H]2O |
|---|
| Inchi | InChI=1S/C14H18O6S/c1-7-6-11-12(14(16)9(3)13(11)15)8(2)10(7)4-5-20-21(17,18)19/h6,9,13,15H,4-5H2,1-3H3,(H,17,18,19)/t9-,13-/m0/s1 |
|---|
| Inchi Key | AJYKBYFVDNGNQI-ZANVPECISA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | 2.06 |
|---|
| Records Key | ['2, (2S,3S)-Sulfated pterosin C'] |
|---|
| Records Name | ['2-((1S,2S)-1-hydroxy-2,4,6-trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl)ethyl hydrogen sulfate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
