1.0 2010-04-08 22:12:28 UTC 2018-05-29 01:26:48 UTC FDB016509 Orientin 7,3'-dimethyl ether Isolated from a hybrid sugarcane (Saccharum) mill syrup Orientin 7,3'-dimethyl ether C23H24O11 476.4301 476.13186161 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 89915-55-9 COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1O)=C(OC)C=C2O InChI=1S/C23H24O11/c1-31-14-5-9(3-4-10(14)25)13-6-11(26)17-12(27)7-15(32-2)18(22(17)33-13)23-21(30)20(29)19(28)16(8-24)34-23/h3-7,16,19-21,23-25,27-30H,8H2,1-2H3 SFCOOUKNSXBTFD-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid 8-c-glycosides. Flavonoid 8-C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. Flavonoid 8-C-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 3'-O-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-O-methylated flavonoids Alkyl aryl ethers Anisoles C-glycosyl compounds Chromones Dialkyl ethers Flavones Heteroaromatic compounds Hexoses Hydrocarbon derivatives Methoxybenzenes Methoxyphenols 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 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-methoxyflavonoid-skeleton Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran C-glycosyl compound Chromone Dialkyl ether Ether Flavone Flavonoid-8-c-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety Monosaccharide 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 0.58 ALOGPS logs -2.76 ALOGPS solubility 8.29e-01 g/l ALOGPS logp -0.062 ChemAxon pka_strongest_acidic 8.43 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one ChemAxon average_mass 476.4301 ChemAxon mono_mass 476.13186161 ChemAxon smiles COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1O)=C(OC)C=C2O ChemAxon formula C23H24O11 ChemAxon inchi InChI=1S/C23H24O11/c1-31-14-5-9(3-4-10(14)25)13-6-11(26)17-12(27)7-15(32-2)18(22(17)33-13)23-21(30)20(29)19(28)16(8-24)34-23/h3-7,16,19-21,23-25,27-30H,8H2,1-2H3 ChemAxon inchikey SFCOOUKNSXBTFD-UHFFFAOYSA-N ChemAxon polar_surface_area 175.37 ChemAxon refractivity 116.98 ChemAxon polarizability 46.5 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 89910 Specdb::MsMs 89911 Specdb::MsMs 89912 Specdb::MsMs 152952 Specdb::MsMs 152953 Specdb::MsMs 152954 Specdb::MsMs 2422958 Specdb::MsMs 2422959 Specdb::MsMs 2422960 Specdb::MsMs 2513022 Specdb::MsMs 2513023 Specdb::NmrOneD 141050 Specdb::NmrOneD 141051 Specdb::NmrOneD 141052 Specdb::NmrOneD 141053 Specdb::NmrOneD 141054 Specdb::NmrOneD 141055 Specdb::NmrOneD 141056 Specdb::NmrOneD 141057 Specdb::NmrOneD 141058 Specdb::NmrOneD 141059 Specdb::NmrOneD 141060 Specdb::NmrOneD 141061 Specdb::NmrOneD 141062 Specdb::NmrOneD 141063 Specdb::NmrOneD 141064 Specdb::NmrOneD 141065 Specdb::NmrOneD 141066 Specdb::NmrOneD 141067 Specdb::NmrOneD 141068 Specdb::NmrOneD 141069 Specdb::CMs 24302 Specdb::CMs 45395 Specdb::CMs 152649 Specdb::CMs 161106 Specdb::CMs 161109 Specdb::CMs 161111 Specdb::CMs 161113 Specdb::CMs 161115 Specdb::CMs 161117 Specdb::CMs 161119 Specdb::CMs 161121 Specdb::CMs 161123 Specdb::CMs 161125 Specdb::CMs 161127 Specdb::CMs 161129 Specdb::CMs 161131 Specdb::CMs 161133 Specdb::CMs 161134 Specdb::CMs 280321 HMDB37450 #<Reference:0x000055ce31f0ad48>