Bioactive Compound Details
| BioID | bio198210 |
|---|---|
| Name | MEZZETTIASIDE 2 |
| ChEMBL ID | CHEMBL452206 |
| Molecular Formula | C40H66O18 |
| Molecular Weight | 834.95 |
| Molecular Weight (Monoisotopic) | 834.4249 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Mezzettiaside 2 |
| Smiles | CCCCCCCCO[C@@H]1O[C@@H](C)[C@H](OC(=O)CCCCC)[C@@H](O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]3OC(C)=O)[C@H]2OC(C)=O)[C@H]1O |
| Inchi | InChI=1S/C40H66O18/c1-10-12-14-15-16-18-20-48-38-30(47)34(32(22(4)49-38)56-28(45)19-17-13-11-2)57-40-37(55-27(9)44)36(33(23(5)51-40)53-25(7)42)58-39-35(54-26(8)43)29(46)31(21(3)50-39)52-24(6)41/h21-23,29-40,46-47H,10-20H2,1-9H3/t21-,22-,23-,29+,30+,31-,32-,33-,34-,35+,36+,37+,38+,39-,40-/m0/s1 |
| Inchi Key | SXBDWFAPSSAIPL-QBWWOGMWSA-N |
| Molecular Species | NEUTRAL |
| Targets | 7.0 |
| Bioactivities | 13.0 |
| Np Likeness Score | 1.02 |
| Records Key | ['5', '2, M-2, mezze 2'] |
| Records Name | ['Mezzettiaside 2', 'Mezzettiaside-2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
