1.0 2010-04-08 22:09:33 UTC 2019-11-26 03:04:46 UTC FDB011286 Lunatone Constituent of Phaseolus lunatus (butter bean). Lunatone is found in pulses and lima bean. 3-(2,4-Dihydroxyphenyl)-9,10-dihydro-5,9-dihydroxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 9CI C20H18O7 370.3527 370.10525293 5-(2,4-dihydroxyphenyl)-8,13-dihydroxy-12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,4,7,9-tetraen-6-one 5-(2,4-dihydroxyphenyl)-8,13-dihydroxy-12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,4,7,9-tetraen-6-one 104363-13-5 CC1(C)OC2=CC(O)=C3C(=O)C(=COC3=C2CC1O)C1=CC=C(O)C=C1O InChI=1S/C20H18O7/c1-20(2)16(24)6-11-15(27-20)7-14(23)17-18(25)12(8-26-19(11)17)10-4-3-9(21)5-13(10)22/h3-5,7-8,16,21-24H,6H2,1-2H3 GUVOWHHQZUZCIH-UHFFFAOYSA-N belongs to the class of organic compounds known as pyranoisoflavonoids. These are isoflavonoids that contain a pyran ring fused to either of the A, B, or C ring of the isoflavonoid skeleton. Pyranoisoflavonoids Organic compounds Phenylpropanoids and polyketides Isoflavonoids Pyranoisoflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Benzene and substituted derivatives Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones Organic oxides Oxacyclic compounds Pyranochromenes Pyranones and derivatives Resorcinols Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Chromone Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyran Pyranochromene Pyranoisoflavonoid Pyranone Resorcinol Secondary alcohol Vinylogous acid logp 2.97 ALOGPS logs -3.96 ALOGPS solubility 4.09e-02 g/l ALOGPS logp 3.03 ChemAxon pka_strongest_acidic 8.35 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 5-(2,4-dihydroxyphenyl)-8,13-dihydroxy-12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,4,7,9-tetraen-6-one ChemAxon average_mass 370.3527 ChemAxon mono_mass 370.10525293 ChemAxon smiles CC1(C)OC2=CC(O)=C3C(=O)C(=COC3=C2CC1O)C1=CC=C(O)C=C1O ChemAxon formula C20H18O7 ChemAxon inchi InChI=1S/C20H18O7/c1-20(2)16(24)6-11-15(27-20)7-14(23)17-18(25)12(8-26-19(11)17)10-4-3-9(21)5-13(10)22/h3-5,7-8,16,21-24H,6H2,1-2H3 ChemAxon inchikey GUVOWHHQZUZCIH-UHFFFAOYSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 96.48 ChemAxon polarizability 37.76 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 59499 Specdb::MsMs 59500 Specdb::MsMs 59501 Specdb::MsMs 115647 Specdb::MsMs 115648 Specdb::MsMs 115649 Specdb::MsMs 3605218 Specdb::MsMs 3605219 Specdb::MsMs 3605220 Specdb::MsMs 3605221 Specdb::MsMs 3605222 Specdb::MsMs 3605223 Lima bean Type 1 specific Phaseolus lunatus 3884 Pulses Unknown generic