Bioactive Compound Details
| BioID | bio85 |
|---|---|
| Name | CORDIANOL C |
| ChEMBL ID | CHEMBL468458 |
| Molecular Formula | C31H52O6 |
| Molecular Weight | 520.75 |
| Molecular Weight (Monoisotopic) | 520.3764 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Cordianol C |
| Smiles | COC(C)(C)C(O)C(O)/C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@]34CC[C@](O)(OC3)C(C)(C)[C@@H]4CC[C@]12C |
| Inchi | InChI=1S/C31H52O6/c1-18(15-22(33)25(34)27(4,5)36-8)19-9-11-28(6)20(19)16-21(32)24-29(28,7)12-10-23-26(2,3)31(35)14-13-30(23,24)17-37-31/h15,19-25,32-35H,9-14,16-17H2,1-8H3/b18-15+/t19-,20-,21-,22?,23+,24+,25?,28-,29-,30-,31+/m1/s1 |
| Inchi Key | ANFJBMXRWPPYJK-AFPDNCCGSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 3.17 |
| Records Key | ['3, Cordianol C'] |
| Records Name | ['(3S,11R)-3,19-epoxy-25-methoxy-3,11,23,24-tetrahydroxydammar-20(22)(E)-ene'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
