1.0 2010-04-08 22:13:24 UTC 2019-11-26 03:15:28 UTC FDB017950 (Z)-3-(2,4,5-Trimethoxyphenyl)-2-propenal Isolated from the rhizomes of Acorus calamus (sweet flag). (Z)-3-(2,4,5-Trimethoxyphenyl)-2-propenal is found in herbs and spices and root vegetables. C12H14O4 222.2372 222.089208936 (2Z)-3-(2,4,5-trimethoxyphenyl)prop-2-enal (2Z)-3-(2,4,5-trimethoxyphenyl)prop-2-enal 99217-07-9 COC1=CC(OC)=C(OC)C=C1\C=C/C=O InChI=1S/C12H14O4/c1-14-10-8-12(16-3)11(15-2)7-9(10)5-4-6-13/h4-8H,1-3H3/b5-4- DNAVOCNYHNNEQI-PLNGDYQASA-N belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal. Cinnamaldehydes Organic compounds Phenylpropanoids and polyketides Cinnamaldehydes Aromatic homomonocyclic compounds Aldehydes Alkyl aryl ethers Anisoles Enals Hydrocarbon derivatives Methoxybenzenes Organic oxides Phenoxy compounds Styrenes Aldehyde Alkyl aryl ether Alpha,beta-unsaturated aldehyde Anisole Aromatic homomonocyclic compound Benzenoid Carbonyl group Cinnamaldehyde Enal Ether Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound Styrene logp 2.17 ALOGPS logs -3.41 ALOGPS solubility 8.69e-02 g/l ALOGPS melting_point Mp 85° logp 1.5 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (2Z)-3-(2,4,5-trimethoxyphenyl)prop-2-enal ChemAxon average_mass 222.2372 ChemAxon mono_mass 222.089208936 ChemAxon smiles COC1=CC(OC)=C(OC)C=C1\C=C/C=O ChemAxon formula C12H14O4 ChemAxon inchi InChI=1S/C12H14O4/c1-14-10-8-12(16-3)11(15-2)7-9(10)5-4-6-13/h4-8H,1-3H3/b5-4- ChemAxon inchikey DNAVOCNYHNNEQI-PLNGDYQASA-N ChemAxon polar_surface_area 44.76 ChemAxon refractivity 61.52 ChemAxon polarizability 23.02 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23804 Specdb::CMs 162178 Specdb::MsMs 64593 Specdb::MsMs 64594 Specdb::MsMs 64595 Specdb::MsMs 121797 Specdb::MsMs 121798 Specdb::MsMs 121799 Specdb::MsMs 2330304 Specdb::MsMs 2330305 Specdb::MsMs 2330306 Specdb::MsMs 2635687 Specdb::MsMs 2635688 Specdb::MsMs 2635689 HMDB38563 #<Reference:0x000055ce31c6fa70> Herbs and Spices Unknown generic Root vegetables Unknown generic