1.0 2010-04-08 22:09:21 UTC 2019-11-26 03:04:14 UTC FDB010893 Isoorientin 2''-[p-coumaroyl-(->6)-glucoside] Isolated from rice leaves (Oryza sativa) exposed to enhanced levels of UV-B. Isoorientin 2''-[p-coumaroyl-(->6)-glucoside] is found in cereals and cereal products. Isoorientin 2''-[p-coumaroyl-(->6)-glucoside] Isoorientin 2''-O-[4-hydroxy-E-cinnamoyl-(->6)-b-D-glucopyranoside] C36H36O18 756.6602 756.190164348 [6-({2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate [6-({2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 220948-74-3 OCC1OC(C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O InChI=1S/C36H36O18/c37-12-23-28(44)32(48)35(54-36-33(49)31(47)29(45)24(53-36)13-50-25(43)8-3-14-1-5-16(38)6-2-14)34(52-23)27-20(42)11-22-26(30(27)46)19(41)10-21(51-22)15-4-7-17(39)18(40)9-15/h1-11,23-24,28-29,31-40,42,44-49H,12-13H2/b8-3+ MWRFISCXYNYBKS-FPYGCLRLSA-N belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Flavonoid C-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 C-glycosyl compounds Carbonyl compounds Catechols Chromones Cinnamic acid esters Coumaric acid esters Coumaric acids and derivatives Dialkyl ethers Disaccharides Enoate esters Fatty acid esters Flavones Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Styrenes Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic heteropolycyclic compound Benzenoid Benzopyran C-glycosyl compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Catechol Chromone Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid ester Coumaric acid or derivatives Dialkyl ether Disaccharide Enoate ester Ether Fatty acid ester Fatty acyl Flavone Flavonoid c-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxycinnamic acid or derivatives Hydroxyflavonoid Monocarboxylic acid or derivatives Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol Styrene Vinylogous acid logp 1.58 ALOGPS logs -3.09 ALOGPS solubility 6.16e-01 g/l ALOGPS logp 0.61 ChemAxon pka_strongest_acidic 6.2 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac [6-({2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 756.6602 ChemAxon mono_mass 756.190164348 ChemAxon smiles OCC1OC(C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O ChemAxon formula C36H36O18 ChemAxon inchi InChI=1S/C36H36O18/c37-12-23-28(44)32(48)35(54-36-33(49)31(47)29(45)24(53-36)13-50-25(43)8-3-14-1-5-16(38)6-2-14)34(52-23)27-20(42)11-22-26(30(27)46)19(41)10-21(51-22)15-4-7-17(39)18(40)9-15/h1-11,23-24,28-29,31-40,42,44-49H,12-13H2/b8-3+ ChemAxon inchikey MWRFISCXYNYBKS-FPYGCLRLSA-N ChemAxon polar_surface_area 302.82 ChemAxon refractivity 181.98 ChemAxon polarizability 73.86 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 17 ChemAxon donor_count 11 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 780987 Specdb::CMs 780988 Specdb::CMs 780989 Specdb::CMs 780990 Specdb::CMs 780991 Specdb::CMs 780992 Specdb::CMs 780993 Specdb::CMs 780994 Specdb::CMs 780995 Specdb::CMs 780996 Specdb::CMs 780997 Specdb::CMs 780998 Specdb::CMs 780999 Specdb::CMs 781000 Specdb::CMs 781001 Specdb::CMs 781002 Specdb::CMs 781003 Specdb::CMs 781004 Specdb::CMs 781005 Specdb::CMs 781006 Specdb::CMs 781007 Specdb::CMs 781008 Specdb::MsMs 58677 Specdb::MsMs 58678 Specdb::MsMs 58679 Specdb::MsMs 114666 Specdb::MsMs 114667 Specdb::MsMs 114668 Specdb::MsMs 2368725 Specdb::MsMs 2368726 Specdb::MsMs 2368727 Specdb::MsMs 2566580 Specdb::MsMs 2566581 Specdb::MsMs 2566582 HMDB32910 #<Reference:0x000055ce32639358> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic