1.02010-04-08 22:05:31 UTC2020-02-24 19:10:38 UTCFDB002801ApiinConstituent of parsley (Petroselinum crispum) and of the flowers of Anthemis nobilis (Roman chamomile). First isol. in 1843
Apiin is a chemical compound isolated from parsley and celery. Apiin is found in many foods, some of which are parsley, german camomile, green bell pepper, and roman camomile.7-(2-Apiosylglucosyl)apigeninApigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside]Apigenin-7-apioglucosideApiinApiosideC26H28O14564.4921564.1479056047-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one7-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one26544-34-3OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1OInChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2NTDLXWMIWOECHG-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylnaphthalenes. Phenylnaphthalenes are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group.PhenylnaphthalenesOrganic compoundsBenzenoidsNaphthalenesPhenylnaphthalenesAromatic homopolycyclic compoundsAryl ketonesBenzene and substituted derivativesHydrocarbon derivativesOrganic oxidesPhenalenonesAromatic homopolycyclic compoundAryl ketoneHydrocarbon derivativeKetoneMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundPhenalenPhenalen-1-onePhenylnaphthalenea secondary metabolitelogp-0.17logs-2.57solubility1.53e+00 g/lmelting_pointMp 236-237°logp-0.84pka_strongest_acidic8.31pka_strongest_basic-3iupac7-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-oneaverage_mass564.4921mono_mass564.147905604smilesOCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1OformulaC26H28O14inchiInChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2inchikeyNTDLXWMIWOECHG-UHFFFAOYSA-Npolar_surface_area225.06refractivity131.73polarizability55.4rotatable_bond_count7acceptor_count14donor_count8physiological_charge0formal_charge0Specdb::NmrOneD17962Specdb::NmrOneD17963Specdb::NmrOneD17964Specdb::NmrOneD17965Specdb::NmrOneD17966Specdb::NmrOneD17967Specdb::NmrOneD17968Specdb::NmrOneD17969Specdb::NmrOneD17970Specdb::NmrOneD17971Specdb::NmrOneD17972Specdb::NmrOneD17973Specdb::NmrOneD17974Specdb::NmrOneD17975Specdb::NmrOneD17976Specdb::NmrOneD17977Specdb::NmrOneD17978Specdb::NmrOneD17979Specdb::NmrOneD17980Specdb::NmrOneD17981Specdb::CMs25604Specdb::CMs42205Specdb::CMs282073Specdb::CMs353816Specdb::CMs353817Specdb::CMs353818Specdb::CMs353819Specdb::CMs353820Specdb::CMs353821Specdb::CMs353822Specdb::CMs353823Specdb::CMs353824Specdb::CMs353825Specdb::CMs353826Specdb::CMs353827Specdb::CMs353828Specdb::CMs353829Specdb::CMs353830Specdb::CMs353831Specdb::CMs353832Specdb::CMs353833Specdb::CMs353834Specdb::CMs353835Specdb::CMs353836Specdb::CMs353837Specdb::MsMs12425Specdb::MsMs12426Specdb::MsMs12427Specdb::MsMs19097Specdb::MsMs19098Specdb::MsMs19099Specdb::MsMs440396Specdb::MsMs440397Specdb::MsMs440398Specdb::MsMs440399Specdb::MsMs440400Specdb::MsMs440531Specdb::MsMs440532Specdb::MsMs452051Specdb::MsMs2260006Specdb::MsMs2306094Specdb::MsMs2306095Specdb::MsMs2306096Specdb::MsMs3063538Specdb::MsMs3063539Specdb::MsMs3063540HMDB3084315932#<Reference:0x000055567611a950>Celery leavesType 1specificApium graveolens var. secalinum9415888.378.3700002038.370000203mg/100 gChervilType 1specificAnthriscus cerefolium40888CuminType 1specificCuminum cyminum52462German camomileType 1specificMatricaria recutita127986Green bell pepperType 1specificCapsicum annuum4072Herbs and SpicesUnknowngenericLentilsType 1genericLens culinaris38640.310.6200000050.0mg/100 gOrange bell pepperType 1specificCapsicum annuum4072ParsleyType 1specificPetroselinum crispum4043PepperType 1specificCapsicum annuum4072Pepper (C. frutescens)Type 1specificCapsicum annuum var. annuum40321Red bell pepperType 1specificCapsicum annuum4072Roman camomileType 1specificChamaemelum nobile99037Wild celeryType 1specificApium graveolens4045111.0111.0111.0mg/100 gYellow bell pepperType 1specificCapsicum annuum4072aldose reductase inhibitor40An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21).anti arrhythmic129A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres.anti bradykinic153anti spasmodic619Any substance introduced into a living organism with therapeutic or diagnostic purpose.EC 3.2.1.18 (exo-alpha-sialidase) inhibitor1435An antiviral drug targeted at influenza viruses. Its mode of action consists of blocking the function of the viral neuraminidase protein (EC 3.2.1.18), thus preventing the virus from budding from the host cell.