| BioID | bio1164 |
|---|
| Name | ILEKUDINOL C |
|---|
| ChEMBL ID | CHEMBL524136 |
|---|
| Molecular Formula | C30H50O3 |
|---|
| Molecular Weight | 458.73 |
|---|
| Molecular Weight (Monoisotopic) | 458.376 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | 3Beta, 24,28-Trihydroxylupane |
|---|
| Smiles | C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12 |
|---|
| Inchi | InChI=1S/C30H50O3/c1-19(2)20-9-14-30(18-32)16-15-28(5)21(25(20)30)7-8-23-26(3)12-11-24(33)27(4,17-31)22(26)10-13-29(23,28)6/h20-25,31-33H,1,7-18H2,2-6H3/t20-,21+,22+,23+,24-,25+,26-,27+,28+,29+,30+/m0/s1 |
|---|
| Inchi Key | PHMKDBZGQWXPAZ-NVHRJAPLSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | 3.09 |
|---|
| Records Key | ['3, ilekudinol C', '21'] |
|---|
| Records Name | ['3beta, 24,28-trihydroxylupane', 'Ilekudinol C'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
