1.0 2010-04-08 22:12:28 UTC 2019-11-26 03:13:22 UTC FDB016510 Diosmetin 7-glucoside Isolated from Galium subspecies, Chrysanthemum species and Cassia species [CCD]. Diosmetin 7-glucoside is found in cornmint, spearmint, and sweet marjoram. 3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-b-D-Glucopyranoside 7-O-b-D-Glucopyranoside Diosmetin 7-glucoside Diosmetin 7-O-beta-D-glucopyranoside C22H22O11 462.4035 462.116211546 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one 20126-59-4 COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1 InChI=1S/C22H22O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3 WKUHPOMCLBLCOV-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'-hydroxyflavonoids 4'-O-methylated flavonoids 5-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Chromones Flavones 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'-hydroxyflavonoid 4p-methoxyflavonoid-skeleton 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 0.64 ALOGPS logs -2.80 ALOGPS solubility 7.34e-01 g/l ALOGPS logp 0.28 ChemAxon pka_strongest_acidic 8.48 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 462.4035 ChemAxon mono_mass 462.116211546 ChemAxon smiles COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1 ChemAxon formula C22H22O11 ChemAxon inchi InChI=1S/C22H22O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3 ChemAxon inchikey WKUHPOMCLBLCOV-UHFFFAOYSA-N ChemAxon polar_surface_area 175.37 ChemAxon refractivity 111.52 ChemAxon polarizability 45.33 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19062 Specdb::CMs 45396 Specdb::CMs 172642 Specdb::MsMs 76482 Specdb::MsMs 76483 Specdb::MsMs 76484 Specdb::MsMs 136326 Specdb::MsMs 136327 Specdb::MsMs 136328 Specdb::MsMs 2258839 Specdb::MsMs 2699575 Specdb::MsMs 2699576 Specdb::MsMs 2699577 Specdb::MsMs 3005754 Specdb::MsMs 3005755 Specdb::MsMs 3005756 HMDB37451 #<Reference:0x000055ce3280e6d8> Cornmint Type 1 specific Mentha arvensis 292239 Spearmint Type 1 specific Mentha spicata 29719 Sweet marjoram Type 1 specific Origanum majorana 268884