1.0 2010-04-08 22:05:31 UTC 2020-02-24 19:10:38 UTC FDB002801 Apiin Constituent 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)apigenin Apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside] Apigenin-7-apioglucoside Apiin Apioside C26H28O14 564.4921 564.147905604 7-[(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-one 7-[(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-one 26544-34-3 OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O InChI=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,8-10H2 NTDLXWMIWOECHG-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. Phenylnaphthalenes Organic compounds Benzenoids Naphthalenes Phenylnaphthalenes Aromatic homopolycyclic compounds Aryl ketones Benzene and substituted derivatives Hydrocarbon derivatives Organic oxides Phenalenones Aromatic homopolycyclic compound Aryl ketone Hydrocarbon derivative Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenalen Phenalen-1-one Phenylnaphthalene a secondary metabolite logp -0.17 ALOGPS logs -2.57 ALOGPS solubility 1.53e+00 g/l ALOGPS melting_point Mp 236-237° logp -0.84 ChemAxon pka_strongest_acidic 8.31 ChemAxon pka_strongest_basic -3 ChemAxon iupac 7-[(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-one ChemAxon average_mass 564.4921 ChemAxon mono_mass 564.147905604 ChemAxon smiles OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O ChemAxon formula C26H28O14 ChemAxon inchi InChI=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,8-10H2 ChemAxon inchikey NTDLXWMIWOECHG-UHFFFAOYSA-N ChemAxon polar_surface_area 225.06 ChemAxon refractivity 131.73 ChemAxon polarizability 55.4 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 14 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 12425 Specdb::MsMs 12426 Specdb::MsMs 12427 Specdb::MsMs 19097 Specdb::MsMs 19098 Specdb::MsMs 19099 Specdb::MsMs 440396 Specdb::MsMs 440397 Specdb::MsMs 440398 Specdb::MsMs 440399 Specdb::MsMs 440400 Specdb::MsMs 440531 Specdb::MsMs 440532 Specdb::MsMs 452051 Specdb::MsMs 2260006 Specdb::MsMs 2306094 Specdb::MsMs 2306095 Specdb::MsMs 2306096 Specdb::MsMs 3063538 Specdb::MsMs 3063539 Specdb::MsMs 3063540 Specdb::NmrOneD 17962 Specdb::NmrOneD 17963 Specdb::NmrOneD 17964 Specdb::NmrOneD 17965 Specdb::NmrOneD 17966 Specdb::NmrOneD 17967 Specdb::NmrOneD 17968 Specdb::NmrOneD 17969 Specdb::NmrOneD 17970 Specdb::NmrOneD 17971 Specdb::NmrOneD 17972 Specdb::NmrOneD 17973 Specdb::NmrOneD 17974 Specdb::NmrOneD 17975 Specdb::NmrOneD 17976 Specdb::NmrOneD 17977 Specdb::NmrOneD 17978 Specdb::NmrOneD 17979 Specdb::NmrOneD 17980 Specdb::NmrOneD 17981 Specdb::CMs 25604 Specdb::CMs 42205 Specdb::CMs 282073 Specdb::CMs 353816 Specdb::CMs 353817 Specdb::CMs 353818 Specdb::CMs 353819 Specdb::CMs 353820 Specdb::CMs 353821 Specdb::CMs 353822 Specdb::CMs 353823 Specdb::CMs 353824 Specdb::CMs 353825 Specdb::CMs 353826 Specdb::CMs 353827 Specdb::CMs 353828 Specdb::CMs 353829 Specdb::CMs 353830 Specdb::CMs 353831 Specdb::CMs 353832 Specdb::CMs 353833 Specdb::CMs 353834 Specdb::CMs 353835 Specdb::CMs 353836 Specdb::CMs 353837 HMDB30843 15932 #<Reference:0x000055ce333ac210> Celery leaves Type 1 specific Apium graveolens var. secalinum 941588 8.37 8.370000203 8.370000203 mg/100 g Chervil Type 1 specific Anthriscus cerefolium 40888 Cumin Type 1 specific Cuminum cyminum 52462 German camomile Type 1 specific Matricaria recutita 127986 Green bell pepper Type 1 specific Capsicum annuum 4072 Herbs and Spices Unknown generic Lentils Type 1 generic Lens culinaris 3864 0.31 0.620000005 0.0 mg/100 g Orange bell pepper Type 1 specific Capsicum annuum 4072 Parsley Type 1 specific Petroselinum crispum 4043 Pepper Type 1 specific Capsicum annuum 4072 Pepper (C. frutescens) Type 1 specific Capsicum annuum var. annuum 40321 Red bell pepper Type 1 specific Capsicum annuum 4072 Roman camomile Type 1 specific Chamaemelum nobile 99037 Wild celery Type 1 specific Apium graveolens 4045 111.0 111.0 111.0 mg/100 g Yellow bell pepper Type 1 specific Capsicum annuum 4072 Aldose reductase inhibitor 40 An 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 bradykinic 153 Anti-arrhythmic 129 A 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-spasmodic 619 Any substance introduced into a living organism with therapeutic or diagnostic purpose. EC 3.2.1.18 (exo-alpha-sialidase) inhibitor 1435 An 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.