1.0 2010-04-08 22:13:15 UTC 2025-11-19 01:56:28 UTC FDB017698 Apiforol (2xi,4xi)-4,4',5,7-tetrahydroxyflavan is a member of the class of compounds known as flavan-4-ols. Flavan-4-ols are flavans that bear and hydroxyl group at position 4 (B ring), but not at the 3-position. Thus, (2xi,4xi)-4,4',5,7-tetrahydroxyflavan is considered to be a flavonoid lipid molecule (2xi,4xi)-4,4',5,7-tetrahydroxyflavan is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (2xi,4xi)-4,4',5,7-tetrahydroxyflavan can be found in cereals and cereal products, which makes (2xi,4xi)-4,4',5,7-tetrahydroxyflavan a potential biomarker for the consumption of this food product. 4',5,7-Trihydroxy-4-flavanol Apiforol C15H14O5 274.2687 274.084123558 2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4,5,7-triol apiferol 55167-29-8 OC1CC(OC2=CC(O)=CC(O)=C12)C1=CC=C(O)C=C1 InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,12-13,16-19H,7H2 RPKUCYSGAXIESU-UHFFFAOYSA-N belongs to the class of organic compounds known as flavan-4-ols. These are flavans that bear and hydroxyl group at position 4 (B ring), but not at the 3-position. Flavan-4-ols Organic compounds Phenylpropanoids and polyketides Flavonoids Flavans Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 4-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Benzene and substituted derivatives Hydrocarbon derivatives Oxacyclic compounds Polyols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 4-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Ether Flavan-4-ol Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Secondary alcohol Flavans, Flavanols and Leucoanthocyanidins a small molecule logp 1.25 ALOGPS logs -2.82 ALOGPS solubility 4.15e-01 g/l ALOGPS logp 1.87 ChemAxon pka_strongest_acidic 9.08 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4,5,7-triol ChemAxon average_mass 274.2687 ChemAxon mono_mass 274.084123558 ChemAxon smiles OC1CC(OC2=CC(O)=CC(O)=C12)C1=CC=C(O)C=C1 ChemAxon formula C15H14O5 ChemAxon inchi InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,12-13,16-19H,7H2 ChemAxon inchikey RPKUCYSGAXIESU-UHFFFAOYSA-N ChemAxon polar_surface_area 90.15 ChemAxon refractivity 72.13 ChemAxon polarizability 27.64 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14183 Specdb::CMs 45271 Specdb::CMs 159063 Specdb::MsMs 59097 Specdb::MsMs 59098 Specdb::MsMs 59099 Specdb::MsMs 115149 Specdb::MsMs 115150 Specdb::MsMs 115151 Specdb::MsMs 2352193 Specdb::MsMs 2352194 Specdb::MsMs 2352195 Specdb::MsMs 2583125 Specdb::MsMs 2583126 Specdb::MsMs 2583127 HMDB0037232 Corn Type 1 specific Zea mays 4577