1.02010-04-08 22:05:23 UTC2018-05-28 23:08:37 UTCFDB002470C.I. Natural Red 20Red dye component of alkanet root extract used for colouring sausage casings, margarine, confectionery and wine. This extract, formerly FEMA 2016, has been removed from the FEMA GRAS list. Not permitted in Germany. Japan approved.Alkanet extractAlkanet extract (van)Alkanna redAlkanna red (van)AlkanninAlkannin (van)Anchusa acidAnchusa acid (van)AnchusinAnchusin (van)C.I. 75530C.I. Natural red 20C.I. Natural Red 20 (VAN)C16H16O5288.2952288.0997736225,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-en-1-yl)-1,4-dihydronaphthalene-1,4-dione5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-en-1-yl)naphthalene-1,4-dione517-88-4CC(C)=CCC(O)C1=CC(=O)C2=C(O)C=CC(O)=C2C1=OInChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3NEZONWMXZKDMKF-UHFFFAOYSA-N belongs to the class of organic compounds known as naphthoquinones. Naphthoquinones are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone).NaphthoquinonesOrganic compoundsBenzenoidsNaphthalenesNaphthoquinonesAromatic homopolycyclic compounds1-hydroxy-2-unsubstituted benzenoidsAromatic monoterpenoidsAryl ketonesBicyclic monoterpenoidsHydrocarbon derivativesOrganic oxidesQuinonesSecondary alcoholsVinylogous acids1-hydroxy-2-unsubstituted benzenoidAlcoholAromatic homopolycyclic compoundAromatic monoterpenoidAryl ketoneBicyclic monoterpenoidHydrocarbon derivativeKetoneMonoterpenoidNaphthoquinoneOrganic oxideOrganic oxygen compoundOrganooxygen compoundQuinoneSecondary alcoholVinylogous acida quinonea secondary metabolitelogp2.19logs-3.09solubility2.36e-01 g/lmelting_pointMp 116-117° (149°)logp3.01pka_strongest_acidic9.6pka_strongest_basic-3.1iupac5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-en-1-yl)-1,4-dihydronaphthalene-1,4-dioneaverage_mass288.2952mono_mass288.099773622smilesCC(C)=CCC(O)C1=CC(=O)C2=C(O)C=CC(O)=C2C1=OformulaC16H16O5inchiInChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3inchikeyNEZONWMXZKDMKF-UHFFFAOYSA-Npolar_surface_area94.83refractivity79.82polarizability29.8rotatable_bond_count3acceptor_count5donor_count3physiological_charge0formal_charge0Specdb::MsMs76314Specdb::MsMs76315Specdb::MsMs76316Specdb::MsMs136119Specdb::MsMs136120Specdb::MsMs136121Specdb::MsMs2346941Specdb::MsMs2346942Specdb::MsMs2346943Specdb::MsMs2591716Specdb::MsMs2591717Specdb::MsMs2591718Specdb::CMs22785Specdb::CMs42009Specdb::CMs129179Specdb::CMs156185Specdb::CMs980444Specdb::CMs980445Specdb::CMs980446Specdb::CMs980447Specdb::CMs980448Specdb::CMs980449Specdb::CMs980450Specdb::CMs980451Specdb::CMs980452Specdb::CMs980453Specdb::CMs980454Specdb::CMs980455Specdb::CMs980456HMDB30579#<Reference:0x0000555675a6af38>