Bioactive Compound Details
| BioID | bio462 |
|---|---|
| Name | DICERANDROL C |
| ChEMBL ID | CHEMBL507894 |
| Molecular Formula | C38H38O16 |
| Molecular Weight | 750.71 |
| Molecular Weight (Monoisotopic) | 750.216 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Dicerandrol C|Dicerandrols C |
| Smiles | CC(=O)OC[C@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4=C(O)C[C@@H](C)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)O5)c(O)c3C(=O)C1=C(O)C[C@@H](C)[C@H]2OC(C)=O |
| Inchi | InChI=1S/C38H38O16/c1-15-11-23(43)29-33(47)27-25(53-37(29,13-49-17(3)39)35(15)51-19(5)41)9-7-21(31(27)45)22-8-10-26-28(32(22)46)34(48)30-24(44)12-16(2)36(52-20(6)42)38(30,54-26)14-50-18(4)40/h7-10,15-16,35-36,43-46H,11-14H2,1-6H3/t15-,16-,35-,36-,37+,38+/m1/s1 |
| Inchi Key | LYWOIRXBEDUAPM-ACMZUNAXSA-N |
| Molecular Species | NEUTRAL |
| Targets | 14.0 |
| Bioactivities | 34.0 |
| Np Likeness Score | 1.24 |
| Records Key | ['5', '3'] |
| Records Name | ['Dicerandrols C', 'Dicerandrol C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
