1.0 2010-04-08 22:13:59 UTC 2019-11-26 03:16:49 UTC FDB018867 Hexadecyl ferulate Isolated from Ipomoea batatas (sweet potato). Hexadecyl ferulate is found in root vegetables and potato. Hexadecyl (E)-ferulate C26H42O4 418.6093 418.308309832 hexadecyl (2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate hexadecyl (2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 158306-36-6 CCCCCCCCCCCCCCCCOC(=O)\C=C/C1=CC(OC)=C(O)C=C1 InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-26(28)20-18-23-17-19-24(27)25(22-23)29-2/h17-20,22,27H,3-16,21H2,1-2H3/b20-18- ZISDTRGMDDVTKY-ZZEZOPTASA-N 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 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Carbonyl compounds Cinnamic acid esters Enoate esters Fatty acid esters Fatty alcohol esters Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Styrenes 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Anisole Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Coumaric acid or derivatives Enoate ester Ether Fatty acid ester Fatty acyl Fatty alcohol ester Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Styrene logp 8.55 ALOGPS logs -6.80 ALOGPS solubility 6.65e-05 g/l ALOGPS logp 8.71 ChemAxon pka_strongest_acidic 9.87 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac hexadecyl (2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate ChemAxon average_mass 418.6093 ChemAxon mono_mass 418.308309832 ChemAxon smiles CCCCCCCCCCCCCCCCOC(=O)\C=C/C1=CC(OC)=C(O)C=C1 ChemAxon formula C26H42O4 ChemAxon inchi InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-26(28)20-18-23-17-19-24(27)25(22-23)29-2/h17-20,22,27H,3-16,21H2,1-2H3/b20-18- ChemAxon inchikey ZISDTRGMDDVTKY-ZZEZOPTASA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 125.36 ChemAxon polarizability 53 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23010 Specdb::CMs 46358 Specdb::CMs 162929 Specdb::MsMs 50301 Specdb::MsMs 50302 Specdb::MsMs 50303 Specdb::MsMs 127218 Specdb::MsMs 127219 Specdb::MsMs 127220 Specdb::MsMs 2805456 Specdb::MsMs 2805457 Specdb::MsMs 2805458 Specdb::MsMs 2876717 Specdb::MsMs 2876718 Specdb::MsMs 2876719 HMDB39317 #<Reference:0x000055ce326017a0> Potato Type 1 specific Solanum tuberosum 4113 Root vegetables Unknown generic