dioscin
(VNONINPVFQTJOC-ZGXDEBHDSA-N)
Structure
- SMILES
- OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
- Molecular Formula:
- C45H72O16
- Molecular Weight:
- 869.044
- Log P:
- 1.2417
- Hydrogen Bond Acceptor:
- 16
- Hydrogen Bond Donor:
- 8
- TPSA:
- 235.68
- CAS Number(s):
- 19057-60-4
Synonym(s)
1.
dioscin
External Link(s)
| MeSH | C019357 |
| PubChem Compound | 119245 |
| BindingDB | 50088500 |
| ChEBI | 74023 |
| CHEMBL | CHEMBL507001 |
| IUPHAR/BPS Guide to PHARMACOLOGY | 840 |
| KEGG | cpd:C08897 |
| Therapeutic Target Database | D0F2AD |
| ZINC | 238809530 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Chemical and Drug Induced Liver Injury | 22939915 27317372 | CTD | |
| 2 | Edema | 27317372 | CTD | |
| 3 | Fatty Liver | 24146112 | CTD | |
| 4 | Kidney Diseases | 28082111 | CTD | |
| 5 | Necrosis | 22939915 27317372 | CTD |
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