Bioactive Compound Details
| BioID | bio739 |
|---|---|
| Name | SARCANDROLIDE C |
| ChEMBL ID | CHEMBL1077073 |
| Molecular Formula | C42H46O15 |
| Molecular Weight | 790.82 |
| Molecular Weight (Monoisotopic) | 790.2837 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | 2''-O-Acetylshizukaol G |
| Smiles | COC(=O)/C(C)=C1\C(=O)[C@H](O)[C@]2(C)C3=C(C[C@@H]4[C@]5(OC(=O)C6=C5C[C@H]5[C@](O)(COC(=O)/C(C)=C/COC(=O)[C@@H](OC(C)=O)CC(=O)OC6)[C@H]6C[C@H]6[C@]45C)[C@H]31)[C@H]1C[C@H]12 |
| Inchi | InChI=1S/C42H46O15/c1-16-7-8-53-38(50)26(56-18(3)43)13-29(44)54-14-21-23-12-27-39(4,24-11-25(24)41(27,51)15-55-35(16)47)28-10-20-19-9-22(19)40(5)31(20)32(42(23,28)57-37(21)49)30(33(45)34(40)46)17(2)36(48)52-6/h7,19,22,24-28,32,34,46,51H,8-15H2,1-6H3/b16-7+,30-17-/t19-,22-,24-,25+,26+,27-,28+,32+,34+,39+,40+,41+,42+/m1/s1 |
| Inchi Key | ADJGXPUZMBQGOG-IYEHQSOQSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 2.6 |
| Records Key | ['5, Sarcandrolide C'] |
| Records Name | [2'''-O-acetylshizukaol G"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
