1.0 2010-04-08 22:10:05 UTC 2019-11-26 03:06:32 UTC FDB012293 Pachyrrhizin Constituent of Pachyrrhizus erosus (yam bean). Pachyrrhizin is found in jicama and pulses. 6-(2-Methoxy-4,5-methylenedioxyphenyl)furocoumarin 6-(6-Methoxy-1,3-benzodioxol-5-yl)-7H-furo[3,2-g][1]benzopyran-7-one, 9CI Neorautone Pachyrhizin C19H12O6 336.295 336.063388116 6-(6-methoxy-2H-1,3-benzodioxol-5-yl)-7H-furo[3,2-g]chromen-7-one pachyrrhizin 10091-01-7 COC1=CC2=C(OCO2)C=C1C1=CC2=C(OC1=O)C=C1OC=CC1=C2 InChI=1S/C19H12O6/c1-21-16-8-18-17(23-9-24-18)6-12(16)13-5-11-4-10-2-3-22-14(10)7-15(11)25-19(13)20/h2-8H,9H2,1H3 PENSQRMNZZWMGV-UHFFFAOYSA-N belongs to the class of organic compounds known as isoflav-3-enones. These are flavonoids with a structure based on an isoflav-3-ene skeleton bearing an oxo-group at position C2. Isoflav-3-enones Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflav-3-enes Aromatic heteropolycyclic compounds 1-benzopyrans Acetals Alkyl aryl ethers Anisoles Benzodioxoles Benzofurans Furanoisoflavonoids Furans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Psoralens Pyranones and derivatives 1-benzopyran Acetal Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzodioxole Benzofuran Benzopyran Coumarin Ether Furan Furanocoumarin Furanoisoflavonoid skeleton Heteroaromatic compound Hydrocarbon derivative Isoflav-3-enone skeleton Lactone Linear furanocoumarin Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Psoralen Pyran Pyranone Other Flavonoids logp 3.15 ALOGPS logs -3.77 ALOGPS solubility 5.72e-02 g/l ALOGPS melting_point Mp 207-209° logp 3.08 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 6-(6-methoxy-2H-1,3-benzodioxol-5-yl)-7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 336.295 ChemAxon mono_mass 336.063388116 ChemAxon smiles COC1=CC2=C(OCO2)C=C1C1=CC2=C(OC1=O)C=C1OC=CC1=C2 ChemAxon formula C19H12O6 ChemAxon inchi InChI=1S/C19H12O6/c1-21-16-8-18-17(23-9-24-18)6-12(16)13-5-11-4-10-2-3-22-14(10)7-15(11)25-19(13)20/h2-8H,9H2,1H3 ChemAxon inchikey PENSQRMNZZWMGV-UHFFFAOYSA-N ChemAxon polar_surface_area 67.13 ChemAxon refractivity 87.07 ChemAxon polarizability 33.91 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11836 Specdb::CMs 146566 Specdb::MsMs 101046 Specdb::MsMs 101047 Specdb::MsMs 101048 Specdb::MsMs 166548 Specdb::MsMs 166549 Specdb::MsMs 166550 Specdb::MsMs 2253971 Specdb::MsMs 2254606 Specdb::MsMs 2255988 Specdb::MsMs 2668975 Specdb::MsMs 2668976 Specdb::MsMs 2668977 Specdb::MsMs 3013745 Specdb::MsMs 3013746 Specdb::MsMs 3013747 HMDB34049 #<Reference:0x000055ce2e975f48> Jicama Type 1 specific Pachyrhizus erosus 109171 Pulses Unknown generic