Structure via PubChem · Public domain (PubChem)
سیناپین
Sign in to saveAlso known as 2-(4-hydroxy-3,5-dimethoxycinnamoyloxy)-N,N,N-trimethylethanaminium, sinapoylcholine, sinapic acid choline ester
Sinapine is an alkaloidal amine found in some seeds, particularly oil seeds of plants in the family Brassicaceae. It is the choline ester of sinapic acid.
Chemical data
- Formula
- C16H24NO5+
- Molecular weight
- 310.36 g/mol
- IUPAC name
- 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium
- SMILES
- C[N+](C)(C)CCOC(=O)/C=C/C1=CC(=C(C(=C1)OC)O)OC
- InChIKey
- HUJXHFRXWWGYQH-UHFFFAOYSA-O
- XLogP
- 1.8
- Polar surface area
- 65 Ų
- H-bond donors
- 1
- H-bond acceptors
- 5
- Formal charge
- 1
via PubChem
Wikidata facts
- Mass
- 310.165448
Show 5 more facts
- isomeric SMILES
- C[N+](C)(C)CCOC(=O)/C=C/C1=CC(=C(C(=C1)OC)O)OC
- canonical SMILES
- C[N+](C)(C)CCOC(=O)C=CC1=CC(=C(C(=C1)OC)O)OC
- found in taxon
- Brassica nigra
- chemical formula
- C₁₆H₂₄NO₅⁺
- Commons category
- Sinapine
Sources (2)
via Wikidata · CC0