Bioactive Compound Details
| BioID | bio472 |
|---|---|
| Name | CUCURBALSAMINOL C |
| ChEMBL ID | CHEMBL1641678 |
| Molecular Formula | C31H52O4 |
| Molecular Weight | 488.75 |
| Molecular Weight (Monoisotopic) | 488.3866 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Cucurbalsaminol C |
| Smiles | CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C)C[C@@H](O)[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/C31H52O4/c1-18(2)14-20(32)15-19(3)21-12-13-30(7)27-24(35-9)16-23-22(10-11-25(33)28(23,4)5)29(27,6)17-26(34)31(21,30)8/h14,16,19-22,24-27,32-34H,10-13,15,17H2,1-9H3/t19-,20+,21-,22-,24+,25+,26-,27-,29+,30+,31+/m1/s1 |
| Inchi Key | HSJCULHTPJTWAJ-SOKCMQJFSA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 16.0 |
| Np Likeness Score | 3.52 |
| Records Key | ['17, Cucurbalsaminol C', '13'] |
| Records Name | ['7beta-methoxycucurbita-5,24-diene-3beta,12beta 23(R)-triol', 'Cucurbalsaminol C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
