neohesperidin dihydrochalcone
(ITVGXXMINPYUHD-CUVHLRMHSA-N)
Structure
- SMILES
- OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
- Molecular Formula:
- C28H36O15
- Molecular Weight:
- 612.576
- Log P:
- -1.3420
- Hydrogen Bond Acceptor:
- 15
- Hydrogen Bond Donor:
- 9
- TPSA:
- 245.29
- CAS Number(s):
- 20702-77-6
Synonym(s)
1.
neohesperidin dihydrochalcone
2.
neohesperidine DC
3.
neohesperidine dihydrochalcone
External Link(s)
| MeSH | C013613 |
| PubChem Compound | 30231 |
| ChEBI | 83535 |
| CHEMBL | CHEMBL1159645 |
| ZINC | 4175639 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Chemical and Drug Induced Liver Injury | 24530446 | CTD | |
| 2 | Necrosis | 24530446 | CTD |
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