1.0 2010-04-08 22:14:25 UTC 2019-11-26 03:17:36 UTC FDB019537 Vicinin 2 Constituent of lemon (Citrus limon) peel and sugar cane syrup. Vicinin 2 is found in citrus. Vicinin 2 C27H30O17 626.5169 626.148299534 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4H-chromen-4-one 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})chromen-4-one 90456-53-4 OCC1OC(OC2=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C27H30O17/c28-6-12-15(32)18(35)20(37)26(41-12)43-24-17(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-23(14)25(22(24)39)44-27-21(38)19(36)16(33)13(7-29)42-27/h1-5,12-13,15-16,18-21,26-30,32-39H,6-7H2 CSNXTSWTBUEIJB-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-8-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C8-position. Flavonoid-8-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Chromones Flavones Heteroaromatic compounds Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Flavone Flavonoid-8-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.83 ALOGPS logs -1.91 ALOGPS solubility 7.70e+00 g/l ALOGPS logp -2.4 ChemAxon pka_strongest_acidic 6.35 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4H-chromen-4-one ChemAxon average_mass 626.5169 ChemAxon mono_mass 626.148299534 ChemAxon smiles OCC1OC(OC2=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C27H30O17 ChemAxon inchi InChI=1S/C27H30O17/c28-6-12-15(32)18(35)20(37)26(41-12)43-24-17(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-23(14)25(22(24)39)44-27-21(38)19(36)16(33)13(7-29)42-27/h1-5,12-13,15-16,18-21,26-30,32-39H,6-7H2 ChemAxon inchikey CSNXTSWTBUEIJB-UHFFFAOYSA-N ChemAxon polar_surface_area 285.75 ChemAxon refractivity 141.16 ChemAxon polarizability 59.56 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 17 ChemAxon donor_count 11 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 80973 Specdb::MsMs 80974 Specdb::MsMs 80975 Specdb::MsMs 141969 Specdb::MsMs 141970 Specdb::MsMs 141971 Specdb::MsMs 2672693 Specdb::MsMs 2672694 Specdb::MsMs 2672695 Specdb::MsMs 3032519 Specdb::MsMs 3032520 Specdb::MsMs 3032521 Specdb::CMs 16388 Specdb::CMs 46614 Specdb::CMs 568113 Specdb::CMs 568114 Specdb::CMs 568115 Specdb::CMs 568116 Specdb::CMs 568117 Specdb::CMs 568118 Specdb::CMs 568119 Specdb::CMs 568120 Specdb::CMs 568121 Specdb::CMs 568122 Specdb::CMs 568123 Specdb::CMs 568124 Specdb::CMs 568125 Specdb::CMs 568126 Specdb::CMs 568127 Specdb::CMs 568128 Specdb::CMs 568129 Specdb::CMs 568130 Specdb::CMs 568131 Specdb::CMs 568132 Specdb::CMs 568133 Specdb::CMs 568134 Specdb::CMs 568135 Specdb::NmrOneD 36662 Specdb::NmrOneD 36663 Specdb::NmrOneD 36664 Specdb::NmrOneD 36665 Specdb::NmrOneD 36666 Specdb::NmrOneD 36667 Specdb::NmrOneD 36668 Specdb::NmrOneD 36669 Specdb::NmrOneD 36670 Specdb::NmrOneD 36671 Specdb::NmrOneD 36672 Specdb::NmrOneD 36673 Specdb::NmrOneD 36674 Specdb::NmrOneD 36675 Specdb::NmrOneD 36676 Specdb::NmrOneD 36677 Specdb::NmrOneD 36678 Specdb::NmrOneD 36679 Specdb::NmrOneD 36680 Specdb::NmrOneD 36681 HMDB39878 #<Reference:0x000055ce31e7ab08> Citrus Unknown generic