Bioactive Compound Details
| BioID | bio566 |
|---|---|
| Name | SHIZUKAOL C |
| ChEMBL ID | CHEMBL1097994 |
| Molecular Formula | C35H40O10 |
| Molecular Weight | 620.7 |
| Molecular Weight (Monoisotopic) | 620.2621 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Shizukaol C |
| Smiles | C/C=C(\C)C(=O)OCC1=C2C[C@H]3[C@H](O)[C@H]4C[C@H]4[C@]3(C)[C@@H]3C[C@@]4(O)C5=C(/C(=C(/C)C(=O)OC)C(=O)[C@H](O)[C@@]5(C)[C@@H]5C[C@@H]54)[C@]23OC1=O |
| Inchi | InChI=1S/C35H40O10/c1-7-13(2)29(39)44-12-16-18-9-21-25(36)15-8-17(15)32(21,4)22-11-34(42)20-10-19(20)33(5)27(34)24(35(18,22)45-31(16)41)23(26(37)28(33)38)14(3)30(40)43-6/h7,15,17,19-22,25,28,36,38,42H,8-12H2,1-6H3/b13-7+,23-14+/t15-,17+,19+,20-,21-,22-,25+,28-,32-,33-,34-,35-/m0/s1 |
| Inchi Key | RQSUWQLZEDOFRR-NAJUWFPCSA-N |
| Molecular Species | NEUTRAL |
| Targets | 8.0 |
| Bioactivities | 11.0 |
| Np Likeness Score | 3.04 |
| Records Key | ['Shizukaol C', '9'] |
| Records Name | ['Shizukaol C', 'Shizukaol C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
