Bioactive Compound Details
| BioID | bio1707 |
|---|---|
| Name | MORUSYUNNANSINS C |
| ChEMBL ID | CHEMBL1951302 |
| Molecular Formula | C42H48O8 |
| Molecular Weight | 680.84 |
| Molecular Weight (Monoisotopic) | 680.3349 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Morusyunnansins C |
| Smiles | COc1ccc(CCC(c2ccc(O)cc2O)c2cc([C@H]3CCc4ccc(OC)c(CC=C(C)C)c4O3)c(O)cc2O)c(O)c1CC=C(C)C |
| Inchi | InChI=1S/C42H48O8/c1-24(2)7-14-31-38(48-5)18-10-26(41(31)47)9-16-29(30-17-13-28(43)21-35(30)44)33-22-34(37(46)23-36(33)45)40-20-12-27-11-19-39(49-6)32(42(27)50-40)15-8-25(3)4/h7-8,10-11,13,17-19,21-23,29,40,43-47H,9,12,14-16,20H2,1-6H3/t29?,40-/m1/s1 |
| Inchi Key | DWQWYHOKGGVRQE-IJWGSBTBSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.54 |
| Records Key | ['3, Morusyunnansins C'] |
| Records Name | ['4-{1-(2,4-dihydroxyphenyl)-3-[2-hydroxy-4-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]propyl}-6-[(2R)-3,4-dihydro-7-methoxy-8-(3-methyl-2-buten-1-yl)-2H-1-benzopyran-2-yl]-1,3-benzenediol'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
