|
Compound Information
|
| ID |
741 |
| TrivialName |
Vanillin |
| Type |
Miscellaneous |
| MF |
C₈H₈O₃ |
| MolecularWeight |
152.149 |
| IUPACName |
4-hydroxy-3-methoxybenzaldehyde |
| m/z |
NT |
| Retention Time |
NT |
| CCS |
NT |
| Adducts |
NT |
| Isomeric SMILES |
COC1=C(O[H])C=CC(C([H])=O)=C1 |
| Canonical SMILES |
COc1cc(C=O)ccc1O |
| Source |
PJvm |
| Functions |
Anti-inflammatory, anticancer, antidiabetic, antioxidant, antisickling, antimicrobial |
| Toxicity Organism |
rat, rat, rat, mouse, mouse, rabbit, guinea pig |
| Toxicity Type |
LD50, LD50, LD50, LD50, LD50, LD50, LD50 |
| Toxicity Route |
oral, intraperitoneal, subcutaneous, oral, intraperitoneal, skin, oral |
| Toxicity Dose |
1580 mg/kg, 1160 mg/kg, 1500 mg/kg, 3925 mg/kg, 475 mg/kg, >5010 mg/kg, 1400 mg/kg |
| Year |
2011 |
| References |
Chan et al. (2011)
|
| Structure |
|
