1.0 2010-04-08 22:15:33 UTC 2019-11-26 03:20:05 UTC FDB021230 Myristicanol A Constituent of the arils of Myristica fragrans (mace). Myristicanol A is found in nutmeg and herbs and spices. a-[1-[4-(3-Hydroxy-1-propenyl)-2,6-dimethoxyphenoxy]ethyl]-3,4,5-trimethoxybenzenemethanol, 9CI C23H30O8 434.4795 434.194067936 (2Z)-3-(4-{[1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)prop-2-en-1-ol (2Z)-3-(4-{[1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)prop-2-en-1-ol 114892-44-3 COC1=CC(\C=C/CO)=CC(OC)=C1OC(C)C(O)C1=CC(OC)=C(OC)C(OC)=C1 InChI=1S/C23H30O8/c1-14(21(25)16-12-19(28-4)22(30-6)20(13-16)29-5)31-23-17(26-2)10-15(8-7-9-24)11-18(23)27-3/h7-8,10-14,21,24-25H,9H2,1-6H3/b8-7- QHYPOKHWZKVCEW-FPLPWBNLSA-N belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed. Lignans, neolignans and related compounds Organic compounds Lignans, neolignans and related compounds Aromatic homomonocyclic compounds Alkyl aryl ethers Anisoles Aromatic alcohols Cinnamyl alcohols Dimethoxybenzenes Hydrocarbon derivatives Phenoxy compounds Phenylpropanes Primary alcohols Secondary alcohols Styrenes Alcohol Alkyl aryl ether Anisole Aromatic alcohol Aromatic homomonocyclic compound Benzenoid Cinnamyl alcohol Dimethoxybenzene Ether Hydrocarbon derivative M-dimethoxybenzene Methoxybenzene Monocyclic benzene moiety Neolignan skeleton Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound Phenylpropane Primary alcohol Secondary alcohol Styrene logp 3.05 ALOGPS logs -4.51 ALOGPS solubility 1.34e-02 g/l ALOGPS logp 2.38 ChemAxon pka_strongest_acidic 13.38 ChemAxon pka_strongest_basic -2.5 ChemAxon iupac (2Z)-3-(4-{[1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)prop-2-en-1-ol ChemAxon average_mass 434.4795 ChemAxon mono_mass 434.194067936 ChemAxon smiles COC1=CC(\C=C/CO)=CC(OC)=C1OC(C)C(O)C1=CC(OC)=C(OC)C(OC)=C1 ChemAxon formula C23H30O8 ChemAxon inchi InChI=1S/C23H30O8/c1-14(21(25)16-12-19(28-4)22(30-6)20(13-16)29-5)31-23-17(26-2)10-15(8-7-9-24)11-18(23)27-3/h7-8,10-14,21,24-25H,9H2,1-6H3/b8-7- ChemAxon inchikey QHYPOKHWZKVCEW-FPLPWBNLSA-N ChemAxon polar_surface_area 95.84 ChemAxon refractivity 116.97 ChemAxon polarizability 46.42 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 8 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19561 Specdb::CMs 47250 Specdb::CMs 135829 Specdb::CMs 143563 Specdb::MsMs 309517 Specdb::MsMs 309518 Specdb::MsMs 309519 Specdb::MsMs 353980 Specdb::MsMs 353981 Specdb::MsMs 353982 Specdb::MsMs 2755912 Specdb::MsMs 2755913 Specdb::MsMs 2755914 Specdb::MsMs 2953050 Specdb::MsMs 2953051 Specdb::MsMs 2953052 HMDB41311 #<Reference:0x000055ce332e1650> Herbs and Spices Unknown generic Nutmeg Type 1 specific Myristica fragrans 51089