1.0 2010-04-08 22:09:25 UTC 2025-11-18 23:23:52 UTC FDB011004 Hovenitin I Constituent of the seeds and fruit of Hovenia dulcis (raisin tree). (2R,3R)-3,5,7,4',5'-Pentahydroxy-3'-methoxyflavanone 3,4',5,5',7-Pentahydroxy-3'-methoxyflavanone 4',5,5',7-Tetrahydroxy-3'-methoxydihydroflavonol Hovenitin I C16H14O8 334.2776 334.068867424 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-1-benzopyran-4-one 71106-82-6 COC1=C(O)C(O)=CC(=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1O InChI=1S/C16H14O8/c1-23-11-3-6(2-9(19)13(11)20)16-15(22)14(21)12-8(18)4-7(17)5-10(12)24-16/h2-5,15-20,22H,1H3 MIEZPHMCERQLMT-UHFFFAOYSA-N belongs to the class of organic compounds known as oxanes. Oxanes are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms. Oxanes Organic compounds Organoheterocyclic compounds Oxanes Aliphatic heteropolycyclic compounds Cyclic alcohols and derivatives Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Secondary alcohols Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Oxane Secondary alcohol logp 1.13 ALOGPS logs -2.60 ALOGPS solubility 8.49e-01 g/l ALOGPS logp 1.66 ChemAxon pka_strongest_acidic 7.8 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 334.2776 ChemAxon mono_mass 334.068867424 ChemAxon smiles COC1=C(O)C(O)=CC(=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1O ChemAxon formula C16H14O8 ChemAxon inchi InChI=1S/C16H14O8/c1-23-11-3-6(2-9(19)13(11)20)16-15(22)14(21)12-8(18)4-7(17)5-10(12)24-16/h2-5,15-20,22H,1H3 ChemAxon inchikey MIEZPHMCERQLMT-UHFFFAOYSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 81.07 ChemAxon polarizability 31.85 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12354 Specdb::CMs 43056 Specdb::CMs 169473 Specdb::MsMs 43551 Specdb::MsMs 43552 Specdb::MsMs 43553 Specdb::MsMs 119571 Specdb::MsMs 119572 Specdb::MsMs 119573 Specdb::MsMs 2699139 Specdb::MsMs 2699140 Specdb::MsMs 2699141 HMDB0033014