1.0 2010-04-08 22:08:01 UTC 2020-02-24 19:10:53 UTC FDB008316 Jaceidin 4'-glucuronide Constituent of Spinacia oleracea (spinach). Jaceidin 4'-glucuronide is found in green vegetables and spinach. Jaceidin 4'-glucuronide Jaceidin 4'-O-glucuronide C24H24O14 536.439 536.116605476 (2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-3,6-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-3,6-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid COC1=CC(=CC=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=C(OC)C(=O)C2=C(O1)C=C(O)C(OC)=C2O InChI=1S/C24H24O14/c1-33-11-6-8(4-5-10(11)37-24-18(30)16(28)17(29)22(38-24)23(31)32)19-21(35-3)15(27)13-12(36-19)7-9(25)20(34-2)14(13)26/h4-7,16-18,22,24-26,28-30H,1-3H3,(H,31,32)/t16-,17-,18+,22-,24+/m0/s1 IXUDTZUOBGRRSD-NKUGBYDDSA-N belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid. Flavonoid O-glucuronides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-O-methylated flavonoids 3-O-methylated flavonoids 3-methoxychromones 5-hydroxyflavonoids 6-O-methylated flavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Flavones Heteroaromatic compounds Hexoses Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-o-glucuronide 3-methoxychromone 3-methoxyflavonoid-skeleton 3p-methoxyflavonoid-skeleton 5-hydroxyflavonoid 6-methoxyflavonoid-skeleton 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Chromone Ether Flavone Flavonoid-4p-o-glucuronide Glucuronic acid or derivatives Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxy acid Hydroxyflavonoid Methoxybenzene Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glucuronide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Pyran Pyranone Secondary alcohol Vinylogous acid logp 1.33 ALOGPS logs -2.74 ALOGPS solubility 9.80e-01 g/l ALOGPS logp 0.31 ChemAxon pka_strongest_acidic 3.06 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-3,6-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid ChemAxon average_mass 536.439 ChemAxon mono_mass 536.116605476 ChemAxon smiles COC1=CC(=CC=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=C(OC)C(=O)C2=C(O1)C=C(O)C(OC)=C2O ChemAxon formula C24H24O14 ChemAxon inchi InChI=1S/C24H24O14/c1-33-11-6-8(4-5-10(11)37-24-18(30)16(28)17(29)22(38-24)23(31)32)19-21(35-3)15(27)13-12(36-19)7-9(25)20(34-2)14(13)26/h4-7,16-18,22,24-26,28-30H,1-3H3,(H,31,32)/t16-,17-,18+,22-,24+/m0/s1 ChemAxon inchikey IXUDTZUOBGRRSD-NKUGBYDDSA-N ChemAxon polar_surface_area 210.9 ChemAxon refractivity 124.57 ChemAxon polarizability 50.9 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 14 ChemAxon donor_count 6 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 51687 Specdb::MsMs 51688 Specdb::MsMs 51689 Specdb::MsMs 133656 Specdb::MsMs 133657 Specdb::MsMs 133658 Specdb::MsMs 2751565 Specdb::MsMs 2751566 Specdb::MsMs 2751567 Specdb::MsMs 2930550 Specdb::MsMs 2930551 Specdb::MsMs 2930552 Specdb::CMs 12743 Specdb::CMs 42563 Specdb::CMs 251130 Specdb::CMs 251131 Specdb::CMs 251132 Specdb::CMs 251133 Specdb::CMs 251134 Specdb::CMs 251135 Specdb::CMs 251136 Specdb::CMs 251137 Specdb::CMs 251138 Specdb::CMs 251139 Specdb::CMs 251140 Specdb::CMs 251141 Specdb::CMs 251142 Specdb::CMs 251143 Specdb::CMs 251144 Specdb::CMs 251145 Specdb::CMs 251146 Specdb::CMs 251147 Specdb::CMs 251148 Specdb::CMs 251149 Specdb::CMs 251150 Specdb::CMs 251151 Specdb::CMs 251152 HMDB31656 #<Reference:0x000055ce324550a0> #<Reference:0x000055ce32454e98> Green vegetables Unknown generic Spinach Type 1 specific Spinacia oleracea 3562 4.974828 4.97482754 4.97482754 mg/100 g UDP-glucuronosyltransferase 1-1 P22309 UGT1A1 UDP-glucuronosyltransferase 1-4 P22310 UGT1A4 UDP-glucuronosyltransferase 1-6 P19224 UGT1A6 UDP-glucuronosyltransferase 1-9 O60656 UGT1A9 UDP-glucuronosyltransferase 2B4 P06133 UGT2B4 UDP-glucuronosyltransferase 2B7 P16662 UGT2B7