Safrole
(ZMQAAUBTXCXRIC-UHFFFAOYSA-N)
Structure
- SMILES
- C=CCc1ccc2c(c1)OCO2
- Molecular Formula:
- C10H10O2
- Molecular Weight:
- 162.185
- Log P:
- 2.1438
- Hydrogen Bond Acceptor:
- 2
- Hydrogen Bond Donor:
- 0
- TPSA:
- 18.46
- CAS Number(s):
- 94-59-7
Synonym(s)
1.
Safrole
2.
Shikimol
3.
4-Allyl-1,2-methylenedioxybenzene
4.
Safrol
5.
4 Allyl 1,2 methylenedioxybenzene
6.
4-Allyl-1,2-methylenedioxybenzenes
7.
Safroles
8.
Safrols
9.
Shikimols
External Link(s)
| MeSH | D012451 |
| PubChem Compound | 5144 |
| ChEBI | 8994 |
| CHEMBL | CHEMBL242273 |
| KEGG | cpd:C10490 |
| ZINC | 2050 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Chemical and Drug Induced Liver Injury | 22024337 | CTD | |
| 2 | Liver Neoplasms, Experimental | 20004213 | CTD | |
| 3 | Liver neoplasms | 22084566 23074021 25058030 | CTD |
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