| BioID | bio499 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL301363 |
|---|
| Molecular Formula | C24H28O10 |
|---|
| Molecular Weight | 476.48 |
|---|
| Molecular Weight (Monoisotopic) | 476.1682 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | Bipinnatin-C |
|---|
| Smiles | CC(=O)O[C@H]1C[C@H](C2(C)CO2)[C@@H](OC(C)=O)c2oc(cc2C)[C@@H]2O[C@@]2(C)C[C@H]2OC(=O)[C@@]13O[C@H]23 |
|---|
| Inchi | InChI=1S/C24H28O10/c1-10-6-14-19-22(4,33-19)8-15-20-24(34-20,21(27)32-15)16(29-11(2)25)7-13(23(5)9-28-23)18(17(10)31-14)30-12(3)26/h6,13,15-16,18-20H,7-9H2,1-5H3/t13-,15+,16-,18+,19-,20+,22-,23?,24+/m0/s1 |
|---|
| Inchi Key | FXDXTJXKPXLNSW-YPXXXPCLSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | 2.83 |
|---|
| Records Key | ['4'] |
|---|
| Records Name | ['7,12-dimethyl-2-methylcarbonyloxy-4-(2-methyl-2-oxiranyl)-17-oxo-(2S,5R,12R)-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-5-yl acetate (Bipinnatin-C)'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
