| BioID | bio1691 |
|---|
| Name | ANDRASTATIN C |
|---|
| ChEMBL ID | CHEMBL1159997 |
|---|
| Molecular Formula | C27H38O6 |
|---|
| Molecular Weight | 458.6 |
|---|
| Molecular Weight (Monoisotopic) | 458.2668 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | andrastatin c |
|---|
| Smiles | CC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C=C(C)[C@@]2(C)C(O)=C(C)C(=O)[C@]23C(=O)O)C1(C)C |
|---|
| Inchi | InChI=1S/C27H38O6/c1-14-13-18-24(6)11-10-19(33-16(3)28)23(4,5)17(24)9-12-25(18,7)27(22(31)32)21(30)15(2)20(29)26(14,27)8/h13,17-19,29H,9-12H2,1-8H3,(H,31,32)/t17-,18+,19+,24-,25+,26+,27-/m1/s1 |
|---|
| Inchi Key | LBBHTACWNVOYKN-SNQWNFAUSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | 2.42 |
|---|
| Records Key | ['andrastatin C'] |
|---|
| Records Name | ['3-Acetoxy-15-hydroxy-4,4,8,10,12,13,16-heptamethyl-17-oxo-1,2,3,4,5,6,7,8,9,10,13,17-dodecahydro-cyclopenta[a]phenanthrene-14-carboxylic acid anion (andrastatin c)'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
