Bioactive Compound Details
| BioID | bio197819 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1774400 |
| Molecular Formula | C34H46O9 |
| Molecular Weight | 598.73 |
| Molecular Weight (Monoisotopic) | 598.3142 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2',3'-Dihydrosalannin |
| Smiles | CCC(C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@H]4O[C@@H]5C[C@@H](c6ccoc6)C(C)=C5[C@@]4(C)[C@H](CC(=O)OC)[C@]1(C)[C@@H]32 |
| Inchi | InChI=1S/C34H46O9/c1-9-17(2)31(37)43-25-14-24(41-19(4)35)32(5)16-40-28-29(32)33(25,6)23(13-26(36)38-8)34(7)27-18(3)21(20-10-11-39-15-20)12-22(27)42-30(28)34/h10-11,15,17,21-25,28-30H,9,12-14,16H2,1-8H3/t17?,21-,22-,23-,24-,25+,28-,29+,30-,32-,33+,34-/m1/s1 |
| Inchi Key | SIEHUSRDVBNRGT-GRBUMBGESA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 3.05 |
| Records Key | ['31'] |
| Records Name | [2',3'-dihydrosalannin"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
