1.0 2010-04-08 22:11:29 UTC 2019-11-26 03:10:49 UTC FDB014832 Acetylvitisin B Constituent of some red wines. Acetylvitisin B is found in alcoholic beverages. Acetylvitisin B C19H15O7 355.321 355.081229243 6,11-dihydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),6,9,11-hexaen-2-ylium 6,11-dihydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),6,9,11-hexaen-2-ylium COC1=CC(=CC(OC)=C1O)C1=C(O)C2=C3C(O1)=CC(O)=CC3=[O+]C=C2 InChI=1S/C19H14O7/c1-23-14-5-9(6-15(24-2)18(14)22)19-17(21)11-3-4-25-12-7-10(20)8-13(26-19)16(11)12/h3-8H,1-2H3,(H2-,20,21,22)/p+1 GGDHREKBVQRCLK-UHFFFAOYSA-O belongs to the class of organic compounds known as 3'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C3' atom of the flavonoid backbone. 3'-O-methylated flavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Anisoles Dimethoxybenzenes Heteroaromatic compounds Hydrocarbon derivatives Methoxyphenols Organic cations Oxacyclic compounds Phenoxy compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 3-hydroxyflavonoid 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 7-hydroxyflavonoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Dimethoxybenzene Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid M-dimethoxybenzene Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic cation Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound logp 2.36 ALOGPS logs -4.20 ALOGPS solubility 2.49e-02 g/l ALOGPS logp 1.68 ChemAxon pka_strongest_acidic 5.05 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 6,11-dihydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),6,9,11-hexaen-2-ylium ChemAxon average_mass 355.321 ChemAxon mono_mass 355.081229243 ChemAxon smiles COC1=CC(=CC(OC)=C1O)C1=C(O)C2=C3C(O1)=CC(O)=CC3=[O+]C=C2 ChemAxon formula C19H15O7 ChemAxon inchi InChI=1S/C19H14O7/c1-23-14-5-9(6-15(24-2)18(14)22)19-17(21)11-3-4-25-12-7-10(20)8-13(26-19)16(11)12/h3-8H,1-2H3,(H2-,20,21,22)/p+1 ChemAxon inchikey GGDHREKBVQRCLK-UHFFFAOYSA-O ChemAxon polar_surface_area 101.52 ChemAxon refractivity 103.74 ChemAxon polarizability 35.5 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 96434 Specdb::MsMs 78675 Specdb::MsMs 78676 Specdb::MsMs 78677 Specdb::MsMs 139089 Specdb::MsMs 139090 Specdb::MsMs 139091 Alcoholic beverages Unknown generic