vanillin
(MWOOGOJBHIARFG-UHFFFAOYSA-N)
Structure
- SMILES
- COc1cc(C=O)ccc1O
- Molecular Formula:
- C8H8O3
- Molecular Weight:
- 152.147
- Log P:
- 1.2133
- Hydrogen Bond Acceptor:
- 3
- Hydrogen Bond Donor:
- 1
- TPSA:
- 46.53
- CAS Number(s):
- 121-33-5
Synonym(s)
1.
vanillin
2.
4-hydroxy-3-methoxybenzaldehyde
3.
5-bromovanillin
4.
5-chlorovanillin
5.
vanillaldehyde
6.
vanillin, sodium salt
External Link(s)
| MeSH | C100058 |
| PubChem Compound | 1183 |
| BindingDB | 50177405 |
| ChEBI | 18346 |
| CHEMBL | CHEMBL13883 |
| IUPHAR/BPS Guide to PHARMACOLOGY | 6412 |
| KEGG | cpd:C00755 dr:D00091 |
| Therapeutic Target Database | D0B5YS |
| ZINC | 2567933 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Chemical and Drug Induced Liver Injury | 26296324 | CTD | |
| 2 | Chromosome Breakage | 26296324 | CTD | |
| 3 | Fatty Liver | 26296324 | CTD | |
| 4 | Hypercholesterolemia | 26296324 | CTD | |
| 5 | Hyperlipoproteinemias | 26296324 | CTD | |
| 6 | Hypertriglyceridemia | 26296324 | CTD | |
| 7 | Liver neoplasms | 7852184 | CTD | |
| 8 | Necrosis | 26296324 27074584 | CTD |
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