Bioactive Compound Details
| BioID | bio394 |
|---|---|
| Name | GARDENOIN C |
| ChEMBL ID | CHEMBL1076828 |
| Molecular Formula | C31H42O6 |
| Molecular Weight | 510.67 |
| Molecular Weight (Monoisotopic) | 510.2981 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Gardenoin C |
| Smiles | C=C1C(=O)O[C@@H]2[C@H](O)[C@@H]3[C@]4(CC[C@]5(C)[C@@H]([C@H](C)Cc6cc(C)co6)CC[C@@]35C)C[C@]4(CCC(=O)OC)[C@H]12 |
| Inchi | InChI=1S/C31H42O6/c1-17-13-20(36-15-17)14-18(2)21-7-9-29(5)26-24(33)25-23(19(3)27(34)37-25)30(10-8-22(32)35-6)16-31(26,30)12-11-28(21,29)4/h13,15,18,21,23-26,33H,3,7-12,14,16H2,1-2,4-6H3/t18-,21-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1 |
| Inchi Key | FJVVMVXJORAJAZ-WIOZPYIDSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 3.03 |
| Records Key | ['3'] |
| Records Name | ['gardenoin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
