Bioactive Compound Details
| BioID | bio1506 |
|---|---|
| Name | ERYTHROCARPINE C |
| ChEMBL ID | CHEMBL395617 |
| Molecular Formula | C36H40O9 |
| Molecular Weight | 616.71 |
| Molecular Weight (Monoisotopic) | 616.2672 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Erythrocarpine C |
| Smiles | COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)/C=C/c2ccccc2)[C@@H]2C=C3[C@H](CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)C[C@@]34O)[C@@]1(C)C2=O |
| Inchi | InChI=1S/C36H40O9/c1-33(2)26(18-28(38)42-5)35(4)24-13-15-34(3)31(22-14-16-43-20-22)45-29(39)19-36(34,41)25(24)17-23(30(35)40)32(33)44-27(37)12-11-21-9-7-6-8-10-21/h6-12,14,16-17,20,23-24,26,31-32,41H,13,15,18-19H2,1-5H3/b12-11+/t23-,24+,26+,31+,32-,34+,35-,36-/m1/s1 |
| Inchi Key | CBKAQQJUMSGHNF-PDBDTYPQSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 2.5 |
| Records Key | ['Erythrocarpine C'] |
| Records Name | ['Erythrocarpine C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
