1.0 2010-04-08 22:06:06 UTC 2025-11-18 22:55:22 UTC FDB004152 Sinapin Sugar phosphate, also known as sinapoylcholine or sinapine, belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Sugar phosphate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Sugar phosphate can be found in a number of food items such as common sage, tea leaf willow, broccoli, and sweet bay, which makes sugar phosphate a potential biomarker for the consumption of these food products. Sugar phosphate exists in all living organisms, ranging from bacteria to humans. C16H24NO5 310.3655 310.165447883 (2-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium sinapine 18696-26-9 COC1=CC(\C=C/C(=O)OCC[N+](C)(C)C)=CC(OC)=C1O 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 HUJXHFRXWWGYQH-UHFFFAOYSA-O belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Coumaric acids and derivatives Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Aromatic homomonocyclic compounds Acyl cholines Alkyl aryl ethers Amines Anisoles Carbonyl compounds Cinnamic acid esters Dimethoxybenzenes Enoate esters Fatty acid esters Hydrocarbon derivatives Methoxyphenols Monocarboxylic acids and derivatives Organic cations Organic oxides Organic salts Organopnictogen compounds Phenoxy compounds Styrenes Tetraalkylammonium salts Acyl choline Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Amine Anisole Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Coumaric acid or derivatives Dimethoxybenzene Enoate ester Ether Fatty acid ester Fatty acyl Hydrocarbon derivative M-dimethoxybenzene Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic cation Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenol ether Phenoxy compound Quaternary ammonium salt Styrene Tetraalkylammonium salt Sinapate derivatives a small molecule acylcholine logp -0.93 ALOGPS logs -4.39 ALOGPS solubility 1.41e-02 g/l ALOGPS logp -2.2 ChemAxon pka_strongest_acidic 9.29 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac (2-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium ChemAxon average_mass 310.3655 ChemAxon mono_mass 310.165447883 ChemAxon smiles COC1=CC(\C=C/C(=O)OCC[N+](C)(C)C)=CC(OC)=C1O ChemAxon formula C16H24NO5 ChemAxon 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 ChemAxon inchikey HUJXHFRXWWGYQH-UHFFFAOYSA-O ChemAxon polar_surface_area 64.99 ChemAxon refractivity 96.67 ChemAxon polarizability 34.33 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 5678 Specdb::CMs 41311 Specdb::CMs 165787 Specdb::MsMs 445199 Specdb::MsMs 445200 Specdb::MsMs 445201 Specdb::MsMs 445447 Specdb::MsMs 445448 Specdb::MsMs 445449 Specdb::MsMs 445450 Specdb::MsMs 445451 Specdb::MsMs 447396 Specdb::MsMs 447397 Specdb::MsMs 447398 Specdb::MsMs 447399 Specdb::NmrOneD 157870 Specdb::NmrOneD 157871 Specdb::NmrOneD 157872 Specdb::NmrOneD 157873 Specdb::NmrOneD 157874 Specdb::NmrOneD 157875 Specdb::NmrOneD 157876 Specdb::NmrOneD 157877 Specdb::NmrOneD 157878 Specdb::NmrOneD 157879 Specdb::NmrOneD 157880 Specdb::NmrOneD 157881 Specdb::NmrOneD 157882 Specdb::NmrOneD 157883 Specdb::NmrOneD 157884 Specdb::NmrOneD 157885 Specdb::NmrOneD 157886 Specdb::NmrOneD 157887 Specdb::NmrOneD 157888 Specdb::NmrOneD 157889 HMDB0029379 Garden cress Type 1 specific Lepidium sativum 33125 Horseradish Type 1 specific Armoracia rusticana 3704