1.0 2010-04-08 22:12:27 UTC 2019-11-26 03:13:18 UTC FDB016473 Cycloartocarpesin Isolated from Artocarpus heterophyllus (jackfruit). Cycloartocarpesin is found in jackfruit and fruits. 8-(2,4-Dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one 8-(2,4-Dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one, 9CI C20H16O6 352.3374 352.094688244 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-4H,8H-pyrano[3,2-g]chromen-4-one cycloartocarpesin 23806-61-3 CC1(C)OC2=CC3=C(C(O)=C2C=C1)C(=O)C=C(O3)C1=C(O)C=C(O)C=C1 InChI=1S/C20H16O6/c1-20(2)6-5-12-16(26-20)9-17-18(19(12)24)14(23)8-15(25-17)11-4-3-10(21)7-13(11)22/h3-9,21-22,24H,1-2H3 LXEJWVDCRDILQQ-UHFFFAOYSA-N belongs to the class of organic compounds known as pyranoflavonoids. Pyranoflavonoids are compounds containing a pyran ring fused to a 2-phenyl-1,4-benzopyran skeleton. Pyranoflavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids Pyranoflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans 4'-hydroxyflavonoids 5-hydroxyflavonoids Alkyl aryl ethers Benzene and substituted derivatives Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranochromenes Pyranones and derivatives Resorcinols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran 4'-hydroxyflavonoid 5-hydroxyflavonoid Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyran Pyranochromene Pyranoflavonoid Pyranone Resorcinol Vinylogous acid Flavones and Flavonols logp 4.03 ALOGPS logs -4.34 ALOGPS solubility 1.62e-02 g/l ALOGPS logp 3.61 ChemAxon pka_strongest_acidic 7.99 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-4H,8H-pyrano[3,2-g]chromen-4-one ChemAxon average_mass 352.3374 ChemAxon mono_mass 352.094688244 ChemAxon smiles CC1(C)OC2=CC3=C(C(O)=C2C=C1)C(=O)C=C(O3)C1=C(O)C=C(O)C=C1 ChemAxon formula C20H16O6 ChemAxon inchi InChI=1S/C20H16O6/c1-20(2)6-5-12-16(26-20)9-17-18(19(12)24)14(23)8-15(25-17)11-4-3-10(21)7-13(11)22/h3-9,21-22,24H,1-2H3 ChemAxon inchikey LXEJWVDCRDILQQ-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 97.31 ChemAxon polarizability 36.48 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19457 Specdb::CMs 45381 Specdb::CMs 147625 Specdb::MsMs 6593 Specdb::MsMs 6594 Specdb::MsMs 6595 Specdb::MsMs 13265 Specdb::MsMs 13266 Specdb::MsMs 13267 Specdb::MsMs 2685213 Specdb::MsMs 2685214 Specdb::MsMs 2685215 Specdb::MsMs 3023535 Specdb::MsMs 3023536 Specdb::MsMs 3023537 HMDB37425 #<Reference:0x000055ce322b5ee8> Fruits Unknown generic Jackfruit Type 1 specific Artocarpus heterophyllus 3489