Bioactive Compound Details
| BioID | bio35 |
|---|---|
| Name | JATAMANVALTRATE C |
| ChEMBL ID | CHEMBL554358 |
| Molecular Formula | C29H44O13 |
| Molecular Weight | 600.66 |
| Molecular Weight (Monoisotopic) | 600.2782 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Jatamanvaltrate C |
| Smiles | CC(=O)OC[C@@]1(O)[C@@H](OC(C)=O)C[C@]2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@H]12 |
| Inchi | InChI=1S/C29H44O13/c1-15(2)9-22(32)41-24(17(5)6)26(34)37-12-20-13-38-27(42-23(33)10-16(3)4)25-28(20,35)11-21(40-19(8)31)29(25,36)14-39-18(7)30/h13,15-17,21,24-25,27,35-36H,9-12,14H2,1-8H3/t21-,24?,25-,27-,28-,29+/m0/s1 |
| Inchi Key | JDPPHKXCSVHYOR-XCUDLWSTSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 2.2 |
| Records Key | ['3, Jatamanvaltrate C'] |
| Records Name | ['(1S,5R,7S,8R,9S)-7,10-diacetoxy-5-hydroxy-1-isovaleroxy-11-[alpha-(isovaleroxy)isovaleroxy]-5,6-dihydrovaltrate hydrin'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
