1.0 2010-04-08 22:12:30 UTC 2025-11-19 01:48:02 UTC FDB016557 Isosakuranetin 7-xyloside Isolated from Prunus cerasoides (wild Himalayan cherry). Isosakuranetin 7-xyloside is found in fruits. (S)-5,7-Dihydroxy-4'-methoxyflavanone 7-O-b-D-xylopyranoside Isosakuranetin 7-O-b-D-xylopyranoside Isosakuranetin 7-O-b-D-xyloside Isosakuranetin 7-O-xyloside Isosakuranetin 7-xyloside C21H22O9 418.394 418.126382302 5-hydroxy-2-(4-methoxyphenyl)-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-one 5-hydroxy-2-(4-methoxyphenyl)-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,3-dihydro-1-benzopyran-4-one 83728-89-6 COC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(OC3OCC(O)C(O)C3O)C=C2O1 InChI=1S/C21H22O9/c1-27-11-4-2-10(3-5-11)16-8-14(23)18-13(22)6-12(7-17(18)30-16)29-21-20(26)19(25)15(24)9-28-21/h2-7,15-16,19-22,24-26H,8-9H2,1H3 CNNUKFIXGVQJSF-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 4'-O-methylated flavonoids 5-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Aryl alkyl ketones Chromones Flavanones Hydrocarbon derivatives Methoxybenzenes Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4p-methoxyflavonoid-skeleton 5-hydroxyflavonoid 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 Hydrocarbon derivative Hydroxyflavonoid Ketone Methoxybenzene Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Secondary alcohol Vinylogous acid logp 0.84 ALOGPS logs -2.81 ALOGPS solubility 6.50e-01 g/l ALOGPS melting_point Mp 140-142° dec. logp 1.34 ChemAxon pka_strongest_acidic 9.84 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 5-hydroxy-2-(4-methoxyphenyl)-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 418.394 ChemAxon mono_mass 418.126382302 ChemAxon smiles COC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(OC3OCC(O)C(O)C3O)C=C2O1 ChemAxon formula C21H22O9 ChemAxon inchi InChI=1S/C21H22O9/c1-27-11-4-2-10(3-5-11)16-8-14(23)18-13(22)6-12(7-17(18)30-16)29-21-20(26)19(25)15(24)9-28-21/h2-7,15-16,19-22,24-26H,8-9H2,1H3 ChemAxon inchikey CNNUKFIXGVQJSF-UHFFFAOYSA-N ChemAxon polar_surface_area 134.91 ChemAxon refractivity 101.95 ChemAxon polarizability 42.31 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 6857 Specdb::MsMs 6858 Specdb::MsMs 6859 Specdb::MsMs 13529 Specdb::MsMs 13530 Specdb::MsMs 13531 Specdb::MsMs 2304021 Specdb::MsMs 2304022 Specdb::MsMs 2304023 Specdb::MsMs 2658238 Specdb::MsMs 2658239 Specdb::MsMs 2658240 Specdb::CMs 10005 Specdb::CMs 45419 Specdb::CMs 174249 HMDB37486 #<Reference:0x000055ce31971558> Fruits Unknown generic