1.0 2010-04-08 22:12:56 UTC 2019-11-26 03:14:21 UTC FDB017178 Cyanidin 7-arabinoside Isolated from the apple tree Malus species Cyanidin 7-arabinoside is found in malus (crab apple) and pomes. Cyanidin 7-arabinoside C20H19O10 419.3589 419.097821828 [(7E)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7H-chromen-7-ylidene](3,4,5-trihydroxyoxan-2-yl)oxidanium [(7E)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxychromen-7-ylidene](3,4,5-trihydroxyoxan-2-yl)oxidanium 28985-03-7 OC1COC(\[O+]=C2/C=C(O)C3=CC(O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O InChI=1S/C20H18O10/c21-11-2-1-8(3-13(11)23)19-14(24)6-10-12(22)4-9(5-16(10)30-19)29-20-18(27)17(26)15(25)7-28-20/h1-6,15,17-18,20,25-27H,7H2,(H3-,21,22,23,24)/p+1 ITSUAAYFFATPLH-UHFFFAOYSA-O belongs to the class of organic compounds known as 5-hydroxyflavonoids. These are flavonoids that bear one hydroxyl group at the C-5 position of the flavonoid skeleton. 5-hydroxyflavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids Hydroxyflavonoids Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids Benzene and substituted derivatives Catechols Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides Organic cations Oxacyclic compounds Oxanes Polyols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Heteroaromatic compound Hydrocarbon derivative Monocyclic benzene moiety Monosaccharide Organic cation Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Secondary alcohol logp 0.86 ALOGPS logs -2.99 ALOGPS solubility 4.61e-01 g/l ALOGPS logp -2.8 ChemAxon pka_strongest_acidic 3.04 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac [(7E)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7H-chromen-7-ylidene](3,4,5-trihydroxyoxan-2-yl)oxidanium ChemAxon average_mass 419.3589 ChemAxon mono_mass 419.097821828 ChemAxon smiles OC1COC(\[O+]=C2/C=C(O)C3=CC(O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O ChemAxon formula C20H19O10 ChemAxon inchi InChI=1S/C20H18O10/c21-11-2-1-8(3-13(11)23)19-14(24)6-10-12(22)4-9(5-16(10)30-19)29-20-18(27)17(26)15(25)7-28-20/h1-6,15,17-18,20,25-27H,7H2,(H3-,21,22,23,24)/p+1 ChemAxon inchikey ITSUAAYFFATPLH-UHFFFAOYSA-O ChemAxon polar_surface_area 194.21 ChemAxon refractivity 117.94 ChemAxon polarizability 41.24 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::NmrOneD 24182 Specdb::NmrOneD 24183 Specdb::NmrOneD 24184 Specdb::NmrOneD 24185 Specdb::NmrOneD 24186 Specdb::NmrOneD 24187 Specdb::NmrOneD 24188 Specdb::NmrOneD 24189 Specdb::NmrOneD 24190 Specdb::NmrOneD 24191 Specdb::NmrOneD 24192 Specdb::NmrOneD 24193 Specdb::NmrOneD 24194 Specdb::NmrOneD 24195 Specdb::NmrOneD 24196 Specdb::NmrOneD 24197 Specdb::NmrOneD 24198 Specdb::NmrOneD 24199 Specdb::NmrOneD 24200 Specdb::NmrOneD 24201 Specdb::CMs 9823 Specdb::CMs 45629 Specdb::CMs 132671 Specdb::CMs 140405 Specdb::MsMs 62778 Specdb::MsMs 62779 Specdb::MsMs 62780 Specdb::MsMs 119580 Specdb::MsMs 119581 Specdb::MsMs 119582 Specdb::MsMs 2534178 Specdb::MsMs 2534179 Specdb::MsMs 2534180 HMDB37989 #<Reference:0x000055ce31d31620> Malus (Crab apple) Type 1 specific Malus 3749 Pomes Unknown generic