Bioactive Compound Details
| BioID | bio199186 |
|---|---|
| Name | BREVICUSPISAPONIN 2 |
| ChEMBL ID | CHEMBL505029 |
| Molecular Formula | C35H56O10 |
| Molecular Weight | 636.82 |
| Molecular Weight (Monoisotopic) | 636.3873 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Brevicuspisaponin 2 |
| Smiles | C[C@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(CO)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O |
| Inchi | InChI=1S/C35H56O10/c1-19-8-13-34(29(41)42)15-14-31(3)20(27(34)33(19,5)43)6-7-22-30(2)11-10-24(45-28-26(40)25(39)21(38)16-44-28)35(17-36,18-37)23(30)9-12-32(22,31)4/h6,19,21-28,36-40,43H,7-18H2,1-5H3,(H,41,42)/t19-,21-,22+,23+,24-,25-,26+,27+,28-,30+,31+,32+,33+,34-/m0/s1 |
| Inchi Key | NNZRYRAKIFSXJY-RNXSOLSLSA-N |
| Molecular Species | ACID |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 3.03 |
| Records Key | ['Brevicuspisaponin 2'] |
| Records Name | ['Brevicuspisaponin 2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
