1.02019-09-16 21:23:24 UTC2019-11-26 03:24:13 UTCFDB093560MorelloflavoneC30H20O11556.479556.1005614648-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-onemorelloflavoneOC1=CC=C(C=C1)[C@@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@H]1C1=C2OC(=CC(=O)C2=C(O)C=C1O)C1=CC(O)=C(O)C=C1InChI=1S/C30H20O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-11,27,29,31-37H/t27-,29+/m1/s1GFWPWSNIXRDQJC-PXJZQJOASA-N belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''.Biflavonoids and polyflavonoidsOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsBiflavonoids and polyflavonoidsAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsAlkyl aryl ethersAryl alkyl ketonesBenzene and substituted derivativesCatecholsChromonesFlavanonesFlavonesHeteroaromatic compoundsHydrocarbon derivativesHydroxyisoflavonoidsIsoflavanonesOrganic oxidesOxacyclic compoundsPyranoisoflavonoidsPyranones and derivativesStilbenesVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoid4'-hydroxyflavonoid5-hydroxyflavonoid7-hydroxyflavonoidAlkyl aryl etherAromatic heteropolycyclic compoundAryl alkyl ketoneAryl ketoneBenzenoidBenzopyranBi- and polyflavonoid skeletonCatecholChromaneChromoneEtherFlavanFlavanoneFlavoneHeteroaromatic compoundHydrocarbon derivativeHydroxyflavonoidHydroxyisoflavonoidIsoflavanIsoflavanoneIsoflavonoidIsoflavonoid skeletonKetoneMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolPyranPyranoisoflavonoidPyranoneStilbeneVinylogous acidbiflavonoidhydroxyflavanonehydroxyflavonelogp4.18logs-4.79solubility9.02e-03 g/llogp4.94pka_strongest_acidic6.3pka_strongest_basic-5.1iupac8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-oneaverage_mass556.479mono_mass556.100561464smilesOC1=CC=C(C=C1)[C@@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@H]1C1=C2OC(=CC(=O)C2=C(O)C=C1O)C1=CC(O)=C(O)C=C1formulaC30H20O11inchiInChI=1S/C30H20O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-11,27,29,31-37H/t27-,29+/m1/s1inchikeyGFWPWSNIXRDQJC-PXJZQJOASA-Npolar_surface_area194.21refractivity144.8polarizability54.53rotatable_bond_count3acceptor_count11donor_count7physiological_charge-1formal_charge0Specdb::MsMs1245517Specdb::MsMs1245518Specdb::MsMs1245519Specdb::MsMs1360873Specdb::MsMs1360874Specdb::MsMs1360875MunduType 1Garcinia dulcis