| BioID | bio1517 |
|---|
| Name | ESCHWEILENOL C |
|---|
| ChEMBL ID | CHEMBL516559 |
|---|
| Molecular Formula | C20H16O12 |
|---|
| Molecular Weight | 448.34 |
|---|
| Molecular Weight (Monoisotopic) | 448.0642 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | 4-(Alpha-Rhamnopyranosyl)Ellagic Acid |
|---|
| Smiles | C[C@@H]1O[C@@H](Oc2cc3c(=O)oc4c(O)c(O)cc5c(=O)oc(c2O)c3c45)[C@H](O)[C@H](O)[C@H]1O |
|---|
| Inchi | InChI=1S/C20H16O12/c1-4-11(22)14(25)15(26)20(29-4)30-8-3-6-10-9-5(18(27)32-17(10)13(8)24)2-7(21)12(23)16(9)31-19(6)28/h2-4,11,14-15,20-26H,1H3/t4-,11-,14+,15+,20-/m0/s1 |
|---|
| Inchi Key | NLOYJHDXNPMFKW-RGYXEVLJSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 10.0 |
|---|
| Bioactivities | 12.0 |
|---|
| Np Likeness Score | 1.99 |
|---|
| Records Key | ['2', '9', '3, eschweilenol C'] |
|---|
| Records Name | ['4-(alpha-rhamnopyranosyl)ellagic acid', 'ellagic acid 4-alpha-L-rhamnopyranoside', '4-(alpha-Rhamnopyranosyl)ellagic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
