1.02010-04-08 22:09:20 UTC2019-11-26 03:04:12 UTCFDB010856RheinPresent in Rheum palmatum (Chinese rhubarb). Rhein is found in dock, green vegetables, and garden rhubarb.1,8-dihydroxy-3-carboxyl anthraquinone1,8-dihydroxy-3-carboxyl-9,10-anthraquinone1,8-Dihydroxyanthraquinone-3-carboxylic acid2-Anthroic acid, 9,10-dihydro-4,5-dihydroxy-9, 10-dioxo-2-Anthroic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-4, 5-Dihydroxyanthraquinone-2-carboxylic acid4,5-Dihydroxy-2-anthraquinonecarboxylic acid4,5-DiOH-anthraquinone-2-COOH9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid, 9CI9,10-dihydro-4,5-Dihydroxy-9,10-dioxo-2-anthroic acidCassic acidChrysazin-3-carboxylic acidDipropionyl rheinMonorheinRheinRhein (1,8-dihydroxy-3-carboxyl anthraquinone)Rhubarb yellowC15H8O6284.2204284.0320879884,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acidmonorhein478-43-3OC(=O)C1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2=OInChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)FCDLCPWAQCPTKC-UHFFFAOYSA-N belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system.Anthracenecarboxylic acidsOrganic compoundsBenzenoidsAnthracenesAnthracenecarboxylic acids and derivativesAromatic homopolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsAnthraquinonesAryl ketonesCarboxylic acidsHydrocarbon derivativesHydroxybenzoic acid derivativesMonocarboxylic acids and derivativesNaphthalenecarboxylic acidsOrganic oxidesVinylogous acids1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid2-naphthalenecarboxylic acid2-naphthalenecarboxylic acid or derivatives9,10-anthraquinoneAnthracene carboxylic acidAnthraquinoneAromatic homopolycyclic compoundAryl ketoneCarboxylic acidCarboxylic acid derivativeHydrocarbon derivativeHydroxybenzoic acidKetoneMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundVinylogous acidAnthracenes and phenanthrenesAnthracenes and phenanthrenesAnthraquinone typeanthraceneslogp2.18logs-3.12solubility2.14e-01 g/lmelting_pointMp 321° (310°)logp3.27pka_strongest_acidic3.4pka_strongest_basic-4.4iupac4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acidaverage_mass284.2204mono_mass284.032087988smilesOC(=O)C1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2=OformulaC15H8O6inchiInChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)inchikeyFCDLCPWAQCPTKC-UHFFFAOYSA-Npolar_surface_area111.9refractivity72.37polarizability26.62rotatable_bond_count1acceptor_count6donor_count3physiological_charge-1formal_charge0Specdb::CMs12668Specdb::CMs43004Specdb::CMs168173Specdb::MsMs12638Specdb::MsMs12639Specdb::MsMs12640Specdb::MsMs19310Specdb::MsMs19311Specdb::MsMs19312Specdb::MsMs438399Specdb::MsMs438400Specdb::MsMs438401Specdb::MsMs438402Specdb::MsMs438403Specdb::MsMs439468Specdb::MsMs439469Specdb::MsMs439470Specdb::MsMs449526Specdb::MsMs452090Specdb::MsMs2233080Specdb::MsMs2235436Specdb::MsMs2244508Specdb::MsMs2245614Specdb::MsMs2246580Specdb::MsMs2247698Specdb::MsMs2250634Specdb::MsMs2251752Specdb::MsMs2254448HMDB32876RHN#<Reference:0x0000555675f412c8>#<Reference:0x0000555675f41048>#<Reference:0x0000555675f40d50>#<Reference:0x0000555675f40aa8>#<Reference:0x0000555675f407d8>#<Reference:0x0000555675f405a8>DockType 1specificRumex3618Garden rhubarbType 1specificRheum rhabarbarum3621Green vegetablesUnknowngenericanti bacterial145A substance that kills or slows the growth of bacteria.anti carcinomic162A substance that inhibits or prevents the proliferation of neoplasms.anti cariogenic165Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti cytomegalovirus217A substance that destroys or inhibits replication of viruses.anti neoplastic465A substance that inhibits or prevents the proliferation of neoplasms.anti plaque531anti septic603A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.anti viral689A substance that destroys or inhibits replication of viruses.antitumor672A substance that inhibits or prevents the proliferation of neoplasms.calcium antagonist748Substance that attaches to and blocks cell receptors that normally bind naturally occurring substances.candidicide756cathartic784Any substance that accelerates defecation. Compare with laxatives, which are substances that ease defecation (usually by softening faeces). A substance can be both a laxative and a cathartic.cytotoxic859A role played by the molecular entity or part thereof which causes the development of a pathological process.fungicide940A substance used to destroy fungal pests.pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.proteinase inhibitor1264A compound which inhibits or antagonizes the biosynthesis or actions of proteases (endopeptidases).purgative1275An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic.