| BioID | bio78 |
|---|
| Name | KARAVELAGENIN C |
|---|
| ChEMBL ID | CHEMBL596244 |
|---|
| Molecular Formula | C31H52O3 |
|---|
| Molecular Weight | 472.75 |
|---|
| Molecular Weight (Monoisotopic) | 472.3916 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | Karavilagenin C |
|---|
| Smiles | CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C[C@@H](O)C=C(C)C)CC[C@@]3(C)[C@H]12 |
|---|
| Inchi | InChI=1S/C31H52O3/c1-19(2)16-21(32)17-20(3)22-12-13-31(8)27-25(34-9)18-24-23(10-11-26(33)28(24,4)5)29(27,6)14-15-30(22,31)7/h16,18,20-23,25-27,32-33H,10-15,17H2,1-9H3/t20-,21+,22-,23-,25+,26+,27-,29+,30-,31+/m1/s1 |
|---|
| Inchi Key | MTYMFIWYWSHNSU-NLUPGCNDSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 8.0 |
|---|
| Bioactivities | 43.0 |
|---|
| Np Likeness Score | 3.55 |
|---|
| Records Key | ['4, karavelagenin C', '1, Karavilagenin C', '2', '5'] |
|---|
| Records Name | ['7beta-methoxycucurbita-5,24-diene-3beta,23(R)-diol', '7beta-methoxycucurbita-5,24-diene-3beta,23(R)-diol', 'karavilagenin C', 'karavilagenin C'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
