1.0 2010-04-08 22:15:26 UTC 2019-11-26 03:19:48 UTC FDB021039 7-Hydroxy-2',5,6-trimethoxy-4',5'-methylenedioxyisoflavone 7-(2-p-coumaroylglucoside) Constituent of the seeds of Trichosanthes anguina (snake gourd). 7-Hydroxy-2',5,6-trimethoxy-4',5'-methylenedioxyisoflavone 7-(2-p-coumaroylglucoside) is found in fruits. 7-Hydroxy-2',5,6-trimethoxy-4',5'-methylenedioxyisoflavone 7-(2-p-coumaroylglucoside) 7-Hydroxy-2',5,6-trimethoxy-4',5'-methylenedioxyisoflavone 7-O-(2-O-p-coumaroyl-b-D-glucopyranoside) 7-Hydroxy-2',5,6-trimethoxy-4',5'-methylenedioxyisoflavone 7-O-(2-O-p-coumaroyl-b-D-glucoside) 7-Hydroxy-5,6,6'-trimethoxy-3',4'-methylenedioxyisoflavone 7-O-(2''-p-coumaroylglucoside) C34H32O15 680.6089 680.174120354 2-{[5,6-dimethoxy-3-(6-methoxy-2H-1,3-benzodioxol-5-yl)-4-oxo-4H-chromen-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2Z)-3-(4-hydroxyphenyl)prop-2-enoate 2-{[5,6-dimethoxy-3-(6-methoxy-2H-1,3-benzodioxol-5-yl)-4-oxochromen-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2Z)-3-(4-hydroxyphenyl)prop-2-enoate 158591-66-3 COC1=CC2=C(OCO2)C=C1C1=COC2=CC(OC3OC(CO)C(O)C(O)C3OC(=O)\C=C/C3=CC=C(O)C=C3)=C(OC)C(OC)=C2C1=O InChI=1S/C34H32O15/c1-41-20-11-22-21(45-15-46-22)10-18(20)19-14-44-23-12-24(31(42-2)32(43-3)27(23)28(19)38)47-34-33(30(40)29(39)25(13-35)48-34)49-26(37)9-6-16-4-7-17(36)8-5-16/h4-12,14,25,29-30,33-36,39-40H,13,15H2,1-3H3/b9-6- MRZUIFKFQDDCQC-TWGQIWQCSA-N belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. Isoflavonoid O-glycosides Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflavonoid O-glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acetals Alkyl aryl ethers Anisoles Benzodioxoles Carbonyl compounds Chromones Cinnamic acid esters Coumaric acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Heteroaromatic compounds Hexoses Hydrocarbon derivatives Isoflavones Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Primary alcohols Pyranones and derivatives Secondary alcohols Styrenes Vinylogous esters 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Anisole Aromatic heteropolycyclic compound Benzenoid Benzodioxole Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromone Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid ester Coumaric acid or derivatives Enoate ester Ether Fatty acid ester Fatty acyl Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxycinnamic acid or derivatives Isoflavone Isoflavonoid o-glycoside Isoflavonoid-7-o-glycoside Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Primary alcohol Pyran Pyranone Secondary alcohol Styrene Vinylogous ester logp 2.82 ALOGPS logs -3.97 ALOGPS solubility 7.26e-02 g/l ALOGPS melting_point Mp 165° logp 2.65 ChemAxon pka_strongest_acidic 9.4 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[5,6-dimethoxy-3-(6-methoxy-2H-1,3-benzodioxol-5-yl)-4-oxo-4H-chromen-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2Z)-3-(4-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 680.6089 ChemAxon mono_mass 680.174120354 ChemAxon smiles COC1=CC2=C(OCO2)C=C1C1=COC2=CC(OC3OC(CO)C(O)C(O)C3OC(=O)\C=C/C3=CC=C(O)C=C3)=C(OC)C(OC)=C2C1=O ChemAxon formula C34H32O15 ChemAxon inchi InChI=1S/C34H32O15/c1-41-20-11-22-21(45-15-46-22)10-18(20)19-14-44-23-12-24(31(42-2)32(43-3)27(23)28(19)38)47-34-33(30(40)29(39)25(13-35)48-34)49-26(37)9-6-16-4-7-17(36)8-5-16/h4-12,14,25,29-30,33-36,39-40H,13,15H2,1-3H3/b9-6- ChemAxon inchikey MRZUIFKFQDDCQC-TWGQIWQCSA-N ChemAxon polar_surface_area 198.13 ChemAxon refractivity 166.57 ChemAxon polarizability 68.51 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 14 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 291934 Specdb::MsMs 291935 Specdb::MsMs 291936 Specdb::MsMs 331984 Specdb::MsMs 331985 Specdb::MsMs 331986 Specdb::MsMs 2807798 Specdb::MsMs 2807799 Specdb::MsMs 2807800 Specdb::MsMs 2897628 Specdb::MsMs 2897629 Specdb::MsMs 2897630 Specdb::CMs 11748 Specdb::CMs 723208 Specdb::CMs 723209 Specdb::CMs 723210 Specdb::CMs 723211 Specdb::CMs 723212 Specdb::CMs 723213 Specdb::CMs 723214 Specdb::CMs 723215 Specdb::CMs 723216 Specdb::CMs 723217 Specdb::CMs 723218 Specdb::CMs 723219 Specdb::CMs 723220 Specdb::CMs 723221 Specdb::CMs 723222 Specdb::CMs 723223 Specdb::CMs 723224 Specdb::CMs 723225 HMDB41151 #<Reference:0x000055ce3240eba0> Fruits Unknown generic