Sinapine

• CAS: 18696-26-9
• Catalog Number: ACM18696269
• Category: Main Products
• Molecular Weight: 310.36
• Molecular Formula: [C₁₆H₂₄NO₅]+
• Synonyms: 2-[[3-(4-Hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]oxy]-N,N,N-trimethylethanaminium
• IUPAC Name: 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium
• Canonical SMILES: C[N+](C)(C)CCOC(=O)C=CC1=CC(=C(C(=C1)OC)O)OC
• InChI: InChI=1S/C16H23NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11H,8-9H2,1-5H3/p+1
• InChI Key: HUJXHFRXWWGYQH-UHFFFAOYSA-O
• Melting Point: 178 °C
• Appearance: White or light-tan solid.
• Complexity: 363
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Exact Mass: 310.16544787
• Heavy Atom Count: 22
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Isomeric SMILES: C[N+](C)(C)CCOC(=O)/C=C/C1=CC(=C(C(=C1)OC)O)OC
• Monoisotopic Mass: 310.16544787
• Physical State: Powder
• Rotatable Bond Count: 8
• Topological Polar Surface Area: 65 Ų

Custom Q&A

What is the molecular formula of sinapine?

The molecular formula of sinapine is C16H24NO5+.

What is the molecular weight of sinapine?

The molecular weight of sinapine is 310.36 g/mol.

What is the IUPAC name of sinapine?

The IUPAC name of sinapine is 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium.

What is the InChIKey of sinapine?

The InChIKey of sinapine is HUJXHFRXWWGYQH-UHFFFAOYSA-O.

What are the synonyms for sinapine?

The synonyms for sinapine are O-sinapoylcholine, Sinapoylcholine, sinapin.

What is the role of sinapine in plants?

Sinapine functions as a photosynthetic electron-transport chain inhibitor, an antioxidant, and a plant metabolite.

What are the natural sources of sinapine?

Sinapine is found in Alliaria petiolata, Isatis quadrialata, and other organisms.

Does sinapine have any occurrence in Lotus, the natural products occurrence database?

Yes, sinapine has occurrence data in Lotus, the natural products occurrence database.

What is the CAS number of sinapine?

The CAS number of sinapine is 18696-26-9.

Is sinapine a canonicalized compound?

Yes, sinapine is a canonicalized compound.