Bioactive Compound Details
| BioID | bio1610 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1926830 |
| Molecular Formula | C40H46O13 |
| Molecular Weight | 734.8 |
| Molecular Weight (Monoisotopic) | 734.2938 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Rel-Trigoheterin C |
| Smiles | C=C(C)[C@@]12OC3(c4ccccc4)O[C@@H]1[C@@H]1[C@H](OC(C)=O)[C@@](C)(O)[C@@H](OC(=O)c4ccccc4)[C@@]4(O)[C@@H](C[C@H](C)[C@@H]4OC(C)=O)[C@@]1(O3)[C@H](C)[C@@H]2OC(C)=O |
| Inchi | InChI=1S/C40H46O13/c1-20(2)38-31(48-24(6)42)22(4)39-28-19-21(3)30(47-23(5)41)37(28,46)35(50-34(44)26-15-11-9-12-16-26)36(8,45)32(49-25(7)43)29(39)33(38)51-40(52-38,53-39)27-17-13-10-14-18-27/h9-18,21-22,28-33,35,45-46H,1,19H2,2-8H3/t21-,22+,28+,29-,30-,31-,32-,33+,35+,36+,37+,38-,39-,40?/m0/s1 |
| Inchi Key | OFOHNNXIPQIVSD-XNFYJXMLSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 2.07 |
| Records Key | ['3'] |
| Records Name | ['rel-Trigoheterin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
