1.0 2010-04-08 22:14:55 UTC 2019-11-26 03:18:42 UTC FDB020271 3',5,6-Trihydroxy-3,4',7,8-tetramethoxyflavone 3-glucoside Constituent of Citrus subspecies 3',5,6-Trihydroxy-3,4',7,8-tetramethoxyflavone 3-glucoside is found in citrus. 3',5,6-Trihydroxy-3,4',7,8-tetramethoxyflavone 3-glucoside 3',5,6-Trihydroxy-3,4',7,8-tetramethoxyflavone 3-O-b-D-glucopyranoside 3',5,6-Trihydroxy-3,4',7,8-tetramethoxyflavone 3-O-b-D-glucoside C25H28O14 552.4814 552.147905604 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5,6,8-trimethoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5,6,8-trimethoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one 118694-40-9 COC1=C(O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(OC)C(OC)=C(O)C(OC)=C2O1 InChI=1S/C25H28O14/c1-33-11-7-9(5-6-10(11)27)19-24(39-25-17(31)16(30)14(28)12(8-26)37-25)15(29)13-20(34-2)22(35-3)18(32)23(36-4)21(13)38-19/h5-7,12,14,16-17,25-28,30-32H,8H2,1-4H3 HGPJRAPODVOCLC-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Flavonoid-3-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 3'-O-methylated flavonoids 4'-hydroxyflavonoids 5-O-methylated flavonoids 6-O-methylated flavonoids 7-hydroxyflavonoids 8-O-methylated flavonoids Acetals Alkyl aryl ethers Anisoles Chromones Flavones Heteroaromatic compounds Hexoses Hydrocarbon derivatives Methoxybenzenes Methoxyphenols O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous esters 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-methoxyflavonoid-skeleton 6-methoxyflavonoid-skeleton 7-hydroxyflavonoid 8-methoxyflavonoid-skeleton Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Flavonoid-3-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 Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous ester logp 0.95 ALOGPS logs -2.81 ALOGPS solubility 8.52e-01 g/l ALOGPS logp -0.82 ChemAxon pka_strongest_acidic 6.37 ChemAxon pka_strongest_basic -3 ChemAxon iupac 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5,6,8-trimethoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 552.4814 ChemAxon mono_mass 552.147905604 ChemAxon smiles COC1=C(O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(OC)C(OC)=C(O)C(OC)=C2O1 ChemAxon formula C25H28O14 ChemAxon inchi InChI=1S/C25H28O14/c1-33-11-7-9(5-6-10(11)27)19-24(39-25-17(31)16(30)14(28)12(8-26)37-25)15(29)13-20(34-2)22(35-3)18(32)23(36-4)21(13)38-19/h5-7,12,14,16-17,25-28,30-32H,8H2,1-4H3 ChemAxon inchikey HGPJRAPODVOCLC-UHFFFAOYSA-N ChemAxon polar_surface_area 203.06 ChemAxon refractivity 131.17 ChemAxon polarizability 53.39 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 14 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 304660 Specdb::MsMs 304661 Specdb::MsMs 304662 Specdb::MsMs 347926 Specdb::MsMs 347927 Specdb::MsMs 347928 Specdb::MsMs 2758116 Specdb::MsMs 2758117 Specdb::MsMs 2758118 Specdb::MsMs 2950194 Specdb::MsMs 2950195 Specdb::MsMs 2950196 Specdb::CMs 17481 Specdb::CMs 46803 Specdb::CMs 281779 Specdb::CMs 335024 Specdb::CMs 335025 Specdb::CMs 335026 Specdb::CMs 335027 Specdb::CMs 335028 Specdb::CMs 335029 Specdb::CMs 335030 Specdb::CMs 335031 Specdb::CMs 335032 Specdb::CMs 335033 Specdb::CMs 335034 Specdb::CMs 335035 Specdb::CMs 335036 Specdb::CMs 335037 Specdb::CMs 335038 Specdb::CMs 335039 Specdb::CMs 335040 Specdb::CMs 335041 Specdb::CMs 335042 Specdb::CMs 335043 Specdb::CMs 335044 Specdb::CMs 335045 Specdb::NmrOneD 40942 Specdb::NmrOneD 40943 Specdb::NmrOneD 40944 Specdb::NmrOneD 40945 Specdb::NmrOneD 40946 Specdb::NmrOneD 40947 Specdb::NmrOneD 40948 Specdb::NmrOneD 40949 Specdb::NmrOneD 40950 Specdb::NmrOneD 40951 Specdb::NmrOneD 40952 Specdb::NmrOneD 40953 Specdb::NmrOneD 40954 Specdb::NmrOneD 40955 Specdb::NmrOneD 40956 Specdb::NmrOneD 40957 Specdb::NmrOneD 40958 Specdb::NmrOneD 40959 Specdb::NmrOneD 40960 Specdb::NmrOneD 40961 HMDB40506 #<Reference:0x000055ce31c00ad0> Citrus Unknown generic