1.0 2010-04-08 22:04:38 UTC 2020-02-24 19:10:10 UTC FDB000606 Isorhamnetin 7-glucoside Isolated from various plants inc. Brassica napus (oilseed rape). Isorhamnetin 7-glucoside is found in sea-buckthornberry, german camomile, and brassicas. Brassicin Isorhamnetin 7-glucoside Vinylchloride-d3 C22H22O12 478.4029 478.111126168 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one 6743-96-0 COC1=CC(=CC=C1O)C1=C(O)C(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1 InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)24)21-19(29)17(27)15-11(25)5-9(6-13(15)33-21)32-22-20(30)18(28)16(26)14(7-23)34-22/h2-6,14,16,18,20,22-26,28-30H,7H2,1H3 YCUNOXSUHVGZRI-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Flavonoid-7-O-glycosides 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-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Chromones Flavonols Heteroaromatic compounds Hexoses Hydrocarbon derivatives Methoxybenzenes Methoxyphenols O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-hydroxyflavone 3-hydroxyflavonoid 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp 0.49 ALOGPS logs -2.65 ALOGPS solubility 1.07e+00 g/l ALOGPS melting_point Mp 253-255° logp 0.034 ChemAxon pka_strongest_acidic 8.08 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 478.4029 ChemAxon mono_mass 478.111126168 ChemAxon smiles COC1=CC(=CC=C1O)C1=C(O)C(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1 ChemAxon formula C22H22O12 ChemAxon inchi InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)24)21-19(29)17(27)15-11(25)5-9(6-13(15)33-21)32-22-20(30)18(28)16(26)14(7-23)34-22/h2-6,14,16,18,20,22-26,28-30H,7H2,1H3 ChemAxon inchikey YCUNOXSUHVGZRI-UHFFFAOYSA-N ChemAxon polar_surface_area 195.6 ChemAxon refractivity 113.49 ChemAxon polarizability 46.01 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 12 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11630 Specdb::CMs 41391 Specdb::CMs 165898 Specdb::MsMs 7298 Specdb::MsMs 7299 Specdb::MsMs 7300 Specdb::MsMs 13970 Specdb::MsMs 13971 Specdb::MsMs 13972 Specdb::MsMs 2455567 Specdb::MsMs 2455568 Specdb::MsMs 2455569 Specdb::MsMs 2480104 Specdb::MsMs 2480105 Specdb::MsMs 2480106 HMDB29479 #<Reference:0x000055ce327ea710> Brassicas Unknown generic 3705 German camomile Type 1 specific Matricaria recutita 127986 Sea-buckthornberry Type 1 specific Hippophae rhamnoides 193516 0.13 0.129999995 0.129999995 mg/100 g