1.0 2010-04-08 22:09:52 UTC 2019-11-26 03:05:38 UTC FDB011869 5-Methylnaringenin 7-glucoside Constituent of Prunus cerasoides (wild Himalayan cherry). 5-Methylnaringenin 7-glucoside is found in fruits. 5-Methylnaringenin 7-glucoside Puddumin A C22H24O10 448.42 448.136946988 2-(4-hydroxyphenyl)-5-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one puddumin A 110187-26-3 COC1=C2C(=O)CC(OC2=CC(OC2OC(CO)C(O)C(O)C2O)=C1)C1=CC=C(O)C=C1 InChI=1S/C22H24O10/c1-29-15-6-12(30-22-21(28)20(27)19(26)17(9-23)32-22)7-16-18(15)13(25)8-14(31-16)10-2-4-11(24)5-3-10/h2-7,14,17,19-24,26-28H,8-9H2,1H3 YKLXLXHFKNDXOH-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 4'-hydroxyflavonoids 5-O-methylated flavonoids Acetals Alkyl aryl ethers Anisoles Aryl alkyl ketones Benzene and substituted derivatives Chromones Flavanones Hexoses Hydrocarbon derivatives Monohydroxyflavonoids O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 4'-hydroxyflavonoid 5-methoxyflavonoid-skeleton Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Flavan Flavanone Flavonoid-7-o-glycoside Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety Monohydroxyflavonoid Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Secondary alcohol Flavanones logp 0.45 ALOGPS logs -2.68 ALOGPS solubility 9.40e-01 g/l ALOGPS melting_point Mp 210° logp 0.063 ChemAxon pka_strongest_acidic 9.47 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(4-hydroxyphenyl)-5-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 448.42 ChemAxon mono_mass 448.136946988 ChemAxon smiles COC1=C2C(=O)CC(OC2=CC(OC2OC(CO)C(O)C(O)C2O)=C1)C1=CC=C(O)C=C1 ChemAxon formula C22H24O10 ChemAxon inchi InChI=1S/C22H24O10/c1-29-15-6-12(30-22-21(28)20(27)19(26)17(9-23)32-22)7-16-18(15)13(25)8-14(31-16)10-2-4-11(24)5-3-10/h2-7,14,17,19-24,26-28H,8-9H2,1H3 ChemAxon inchikey YKLXLXHFKNDXOH-UHFFFAOYSA-N ChemAxon polar_surface_area 155.14 ChemAxon refractivity 107.92 ChemAxon polarizability 44.69 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23051 Specdb::CMs 43476 Specdb::CMs 131465 Specdb::CMs 139199 Specdb::MsMs 54924 Specdb::MsMs 54925 Specdb::MsMs 54926 Specdb::MsMs 175815 Specdb::MsMs 175816 Specdb::MsMs 175817 Specdb::MsMs 2697096 Specdb::MsMs 2697097 Specdb::MsMs 2697098 Specdb::MsMs 2981516 Specdb::MsMs 2981517 Specdb::MsMs 2981518 HMDB33741 #<Reference:0x000055ce326510e8> Amaranth Type 1 specific Amaranthus 3564 Annual wild rice Type 1 specific Zizania aquatica 75727 Barley Type 1 specific Hordeum vulgare 4513 Breakfast cereal Type 2 specific Bulgur Type 2 specific Cereals and cereal products Unknown generic Common buckwheat Type 1 specific Fagopyrum esculentum 3617 Common wheat Type 1 specific Triticum aestivum 4565 Corn Type 1 specific Zea mays 4577 Flour Type 2 specific Fruits Unknown generic Hard wheat Type 1 specific Triticum durum 4567 Millet Type 1 specific Panicum miliaceum 4540 Oat Type 1 specific Avena sativa 4498 Oriental wheat Type 1 specific Triticum turanicum 376534 Quinoa Type 1 specific Chenopodium quinoa 63459 Red rice Type 1 specific Oryza rufipogon 4529 Rice Type 1 specific Oryza sativa 4530 Rye Type 1 specific Secale cereale 4550 Sorghum Type 1 specific Sorghum bicolor 4558 Soy bean Type 1 specific Glycine max 3847 Spelt Type 1 specific Triticum spelta 58933 Tartary buckwheat Type 1 specific Fagopyrum tataricum 62330 Teff Type 1 specific Eragrostis tef 110835 Triticale Type 1 specific X Triticosecale rimpaui Wheat Type 1 specific Triticum 4564 Wild rice Type 1 specific Zizania 15949