1.0 2010-04-08 22:07:44 UTC 2025-11-18 23:05:16 UTC FDB007710 1,5-Epoxy-3-hydroxy-1-(3,4-dihydroxy-5-methoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-heptane (2s,4s,6s)-2-[2-(4-hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2h-pyran-4-ol is a member of the class of compounds known as linear diarylheptanoids. Linear diarylheptanoids are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain (2s,4s,6s)-2-[2-(4-hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2h-pyran-4-ol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (2s,4s,6s)-2-[2-(4-hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2h-pyran-4-ol can be found in herbs and spices, which makes (2s,4s,6s)-2-[2-(4-hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2h-pyran-4-ol a potential biomarker for the consumption of this food product. C21H26O7 390.4269 390.167853186 5-{4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]oxan-2-yl}-3-methoxybenzene-1,2-diol 5-{4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]oxan-2-yl}-3-methoxybenzene-1,2-diol COC1=CC(=CC(O)=C1O)C1CC(O)CC(CCC2=CC(OC)=C(O)C=C2)O1 InChI=1S/C21H26O7/c1-26-19-7-12(4-6-16(19)23)3-5-15-10-14(22)11-18(28-15)13-8-17(24)21(25)20(9-13)27-2/h4,6-9,14-15,18,22-25H,3,5,10-11H2,1-2H3 YYPVGAJJYQQFMX-UHFFFAOYSA-N belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain. Linear diarylheptanoids Organic compounds Phenylpropanoids and polyketides Diarylheptanoids Linear diarylheptanoids Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Catechols Dialkyl ethers Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Oxacyclic compounds Oxanes Phenoxy compounds Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Benzenoid Catechol Dialkyl ether Ether Hydrocarbon derivative Linear 1,7-diphenylheptane skeleton Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenoxy compound Secondary alcohol logp 2.16 ALOGPS logs -4.27 ALOGPS solubility 2.11e-02 g/l ALOGPS logp 2.52 ChemAxon pka_strongest_acidic 9.35 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 5-{4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]oxan-2-yl}-3-methoxybenzene-1,2-diol ChemAxon average_mass 390.4269 ChemAxon mono_mass 390.167853186 ChemAxon smiles COC1=CC(=CC(O)=C1O)C1CC(O)CC(CCC2=CC(OC)=C(O)C=C2)O1 ChemAxon formula C21H26O7 ChemAxon inchi InChI=1S/C21H26O7/c1-26-19-7-12(4-6-16(19)23)3-5-15-10-14(22)11-18(28-15)13-8-17(24)21(25)20(9-13)27-2/h4,6-9,14-15,18,22-25H,3,5,10-11H2,1-2H3 ChemAxon inchikey YYPVGAJJYQQFMX-UHFFFAOYSA-N ChemAxon polar_surface_area 108.61 ChemAxon refractivity 103.53 ChemAxon polarizability 41.67 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12438 Specdb::CMs 41966 Specdb::CMs 161441 Specdb::MsMs 104238 Specdb::MsMs 104239 Specdb::MsMs 104240 Specdb::MsMs 170469 Specdb::MsMs 170470 Specdb::MsMs 170471 Specdb::MsMs 2393791 Specdb::MsMs 2393792 Specdb::MsMs 2393793 Specdb::MsMs 2572730 Specdb::MsMs 2572731 Specdb::MsMs 2572732 HMDB0030502 Ginger Type 1 specific Zingiber officinale 94328