Bioactive Compound Details
| BioID | bio131 |
|---|---|
| Name | EXCOECARIPHENOL C |
| ChEMBL ID | CHEMBL1939396 |
| Molecular Formula | C37H30O24 |
| Molecular Weight | 858.62 |
| Molecular Weight (Monoisotopic) | 858.1127 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Excoecariphenol C |
| Smiles | COC(=O)Cc1c(C(=O)O[C@H]2[C@H](OC(=O)c3cc(O)c(O)c(O)c3)O[C@@H]3COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)O[C@H]2[C@@H]3O)cc(O)c(O)c1O |
| Inchi | InChI=1S/C37H30O24/c1-56-20(43)7-10-11(4-16(40)25(46)23(10)44)35(54)60-32-31-28(49)19(58-37(32)61-33(52)9-2-14(38)24(45)15(39)3-9)8-57-34(53)12-5-17(41)26(47)29(50)21(12)22-13(36(55)59-31)6-18(42)27(48)30(22)51/h2-6,19,28,31-32,37-42,44-51H,7-8H2,1H3/t19-,28-,31+,32-,37+/m1/s1 |
| Inchi Key | RNKJGSMNSLDUDI-LCESYWSQSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.27 |
| Records Key | ['3'] |
| Records Name | ['excoecariphenol C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
