1.02010-04-08 22:08:03 UTC2020-02-24 19:10:54 UTCFDB008367DanielonePhytoalexin isolated from the fruits of papaya (Carica papaya). Danielone is found in papaya and fruits.2-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-ethanone2,4'-Dihydroxy-3',5'-dimethoxyacetophenone3',5'-Dimethoxy-4'-hydroxy-(2-hydroxy)acetophenonea-HydroxyacetosyringoneDanieloneEthanone, 2-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-C10H12O5212.1993212.0684734942-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)ethan-1-onedanielone90426-22-5COC1=CC(=CC(OC)=C1O)C(=O)COInChI=1S/C10H12O5/c1-14-8-3-6(7(12)5-11)4-9(15-2)10(8)13/h3-4,11,13H,5H2,1-2H3ZTBAPEIDNUHRNC-UHFFFAOYSA-N belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.Alkyl-phenylketonesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAromatic homomonocyclic compoundsAlkyl aryl ethersAlpha-hydroxy ketonesAnisolesAryl alkyl ketonesBenzoyl derivativesDimethoxybenzenesHydrocarbon derivativesMethoxyphenolsOrganic oxidesPhenoxy compoundsPrimary alcoholsAlcoholAlkyl aryl etherAlkyl-phenylketoneAlpha-hydroxy ketoneAnisoleAromatic homomonocyclic compoundAryl alkyl ketoneBenzenoidBenzoylDimethoxybenzeneEtherHydrocarbon derivativeM-dimethoxybenzeneMethoxybenzeneMethoxyphenolMonocyclic benzene moietyOrganic oxidePhenolPhenol etherPhenoxy compoundPrimary alcoholaromatic ketonedimethoxybenzenephenolsprimary alcohollogp0.63logs-1.75solubility3.78e+00 g/lmelting_pointMp 145°logp0.095pka_strongest_acidic7.62pka_strongest_basic-3.3iupac2-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)ethan-1-oneaverage_mass212.1993mono_mass212.068473494smilesCOC1=CC(=CC(OC)=C1O)C(=O)COformulaC10H12O5inchiInChI=1S/C10H12O5/c1-14-8-3-6(7(12)5-11)4-9(15-2)10(8)13/h3-4,11,13H,5H2,1-2H3inchikeyZTBAPEIDNUHRNC-UHFFFAOYSA-Npolar_surface_area75.99refractivity53.07polarizability20.7rotatable_bond_count4acceptor_count5donor_count2physiological_charge0formal_charge0Specdb::NmrOneD165469Specdb::NmrOneD165470Specdb::NmrOneD165471Specdb::NmrOneD165472Specdb::NmrOneD165473Specdb::NmrOneD165474Specdb::NmrOneD165475Specdb::NmrOneD165476Specdb::NmrOneD165477Specdb::NmrOneD165478Specdb::NmrOneD165479Specdb::NmrOneD165480Specdb::NmrOneD165481Specdb::NmrOneD165482Specdb::NmrOneD165483Specdb::NmrOneD165484Specdb::NmrOneD165485Specdb::NmrOneD165486Specdb::NmrOneD165487Specdb::NmrOneD165488Specdb::MsMs51792Specdb::MsMs51793Specdb::MsMs51794Specdb::MsMs163977Specdb::MsMs163978Specdb::MsMs163979Specdb::MsMs2673763Specdb::MsMs2673764Specdb::MsMs2673765Specdb::MsMs3031859Specdb::MsMs3031860Specdb::MsMs3031861Specdb::CMs5945Specdb::CMs42586Specdb::CMs137855Specdb::CMs145589HMDB31704#<Reference:0x0000555675d045f0>FruitsUnknowngenericPapayaType 1specificCarica papaya3649