1.0 2011-07-19 17:45:47 UTC 2019-11-26 03:20:59 UTC FDB021864 Myricetin 3-arabinoside Isolated from numerous plant subspecies, e.g. Woodfordia fruticosa [DFC]. Myricetin 3-arabinoside is found in american cranberry. Myricetin 3-arabinoside C20H18O12 450.3497 450.07982604 5,7-dihydroxy-3-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one 5,7-dihydroxy-3-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one 132679-85-7 O[C@H]1CO[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O InChI=1S/C20H18O12/c21-7-3-8(22)13-12(4-7)31-18(6-1-9(23)14(26)10(24)2-6)19(16(13)28)32-20-17(29)15(27)11(25)5-30-20/h1-4,11,15,17,20-27,29H,5H2/t11-,15-,17+,20-/m0/s1 SBEOEJNITMVWLK-KJCLSZHRSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Flavonoid-3-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyranones and derivatives Pyrogallols and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenetriol Benzenoid Benzopyran Chromone Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Pyran Pyranone Pyrogallol derivative Secondary alcohol Vinylogous acid Solid logp 0.69 ALOGPS logs -2.39 ALOGPS solubility 1.83e+00 g/l ALOGPS melting_point Mp 203 - 205° logp 0.18 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 5,7-dihydroxy-3-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one ChemAxon average_mass 450.3497 ChemAxon mono_mass 450.07982604 ChemAxon smiles O[C@H]1CO[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O ChemAxon formula C20H18O12 ChemAxon inchi InChI=1S/C20H18O12/c21-7-3-8(22)13-12(4-7)31-18(6-1-9(23)14(26)10(24)2-6)19(16(13)28)32-20-17(29)15(27)11(25)5-30-20/h1-4,11,15,17,20-27,29H,5H2/t11-,15-,17+,20-/m0/s1 ChemAxon inchikey SBEOEJNITMVWLK-KJCLSZHRSA-N ChemAxon polar_surface_area 206.6 ChemAxon refractivity 105.29 ChemAxon polarizability 41.67 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 12 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20664 Specdb::CMs 47419 Specdb::CMs 149803 Specdb::MsMs 312034 Specdb::MsMs 312035 Specdb::MsMs 312036 Specdb::MsMs 357166 Specdb::MsMs 357167 Specdb::MsMs 357168 Specdb::MsMs 2335516 Specdb::MsMs 2335517 Specdb::MsMs 2335518 Specdb::MsMs 2627252 Specdb::MsMs 2627253 Specdb::MsMs 2627254 HMDB41635 #<Reference:0x000055ce31d50610> American cranberry Type 1 specific Vaccinium macrocarpon 13750