Bioactive Compound Details
| BioID | bio197784 |
|---|---|
| Name | SANSEVISTATIN 2 |
| ChEMBL ID | CHEMBL448194 |
| Molecular Formula | C44H70O16 |
| Molecular Weight | 855.03 |
| Molecular Weight (Monoisotopic) | 854.4664 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | sansevistatin 2 |
| Smiles | C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C |
| Inchi | InChI=1S/C44H70O16/c1-19-8-13-44(54-17-19)20(2)30-28(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)56-41-38(59-40-35(51)33(49)31(47)21(3)55-40)36(52)37(29(16-45)57-41)58-39-34(50)32(48)27(46)18-53-39/h6,19-21,23-41,45-52H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44-/m1/s1 |
| Inchi Key | HSOMTBUZSIVDQK-IPKCVOQPSA-N |
| Molecular Species | NEUTRAL |
| Targets | 17.0 |
| Bioactivities | 17.0 |
| Np Likeness Score | 2.72 |
| Records Key | ['3, sansevistatin 2'] |
| Records Name | ['3beta-O-[alpha-L-arabinopyranosyl-(1->4)-[alpha-Lrhamnopyranosyl-(1->2)]-beta-D-glucopyranosyl-(25R)-spirost-5-ene'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
