1.0 2010-04-08 22:10:57 UTC 2019-11-26 03:09:11 UTC FDB013862 Emodin Present in Cascara sagrada Emodin is a purgative resin from rhubarb, Polygonum cuspidatum, the buckthorn and Japanese Knotweed (Fallopia japonica). The term may also refer to any one of a series of principles isomeric with the emodin of rhubarb. Emodin is found in dock, garden rhubarb, and sorrel. 1,3, 8-Trihydroxy-6-methyl-9,10-anthraquinone 1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione 1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione, 9CI 1,3,8-Trihydroxy-6-methyl-9,10-anthraquinone 1,3,8-trihydroxy-6-methylanthra-9,10-quinone 3-Methyl-1,6,8-trihydroxyanthraquinone 4,5,7-Trihydroxy-2-methylanthraquinone 6-Methyl-1,3,8-trihydroxy-9,10-anthracenedione 6-methyl-1,3,8-trihydroxyanthraquinone 9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl- (9CI) Alatinone Archin Emodin Emodol Frangula emodin Frangulic acid Frangulinic acid Rheum-emodin Schuttgelb C15H10O5 270.2369 270.05282343 1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9,10-dione emodin 518-82-1 CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1O)C2=O InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3 RHMXXJGYXNZAPX-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxyanthraquinones. Hydroxyanthraquinones are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group. Hydroxyanthraquinones Organic compounds Benzenoids Anthracenes Anthraquinones Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aryl ketones Hydrocarbon derivatives Organic oxides Polyols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homopolycyclic compound Aryl ketone Hydrocarbon derivative Hydroxyanthraquinone Ketone Organic oxide Organic oxygen compound Organooxygen compound Polyol Vinylogous acid Anthracenes and phenanthrenes Anthracenes and phenanthrenes Anthraquinone type hydroxyanthraquinones logp 2.66 ALOGPS logs -3.09 ALOGPS solubility 2.22e-01 g/l ALOGPS melting_point Mp 266-268° (264-265°) logp 3.82 ChemAxon pka_strongest_acidic 7.29 ChemAxon pka_strongest_basic -5.4 ChemAxon iupac 1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9,10-dione ChemAxon average_mass 270.2369 ChemAxon mono_mass 270.05282343 ChemAxon smiles CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1O)C2=O ChemAxon formula C15H10O5 ChemAxon inchi InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3 ChemAxon inchikey RHMXXJGYXNZAPX-UHFFFAOYSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 72.13 ChemAxon polarizability 26.58 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25103 Specdb::CMs 44256 Specdb::CMs 147633 Specdb::MsMs 8615 Specdb::MsMs 8616 Specdb::MsMs 8617 Specdb::MsMs 15287 Specdb::MsMs 15288 Specdb::MsMs 15289 Specdb::MsMs 374144 Specdb::MsMs 374769 Specdb::MsMs 436932 Specdb::MsMs 436933 Specdb::MsMs 436934 Specdb::MsMs 436935 Specdb::MsMs 436936 Specdb::MsMs 438626 Specdb::MsMs 439787 Specdb::MsMs 439788 Specdb::MsMs 444929 Specdb::MsMs 444930 Specdb::MsMs 444931 Specdb::MsMs 444932 Specdb::MsMs 444933 Specdb::MsMs 449952 Specdb::MsMs 449953 Specdb::MsMs 449954 Specdb::MsMs 449955 Specdb::NmrOneD 331962 Specdb::NmrOneD 331963 Specdb::NmrOneD 331964 Specdb::NmrOneD 331965 Specdb::NmrOneD 331966 Specdb::NmrOneD 331967 Specdb::NmrOneD 331968 Specdb::NmrOneD 331969 Specdb::NmrOneD 331970 Specdb::NmrOneD 331971 Specdb::NmrOneD 331972 Specdb::NmrOneD 331973 Specdb::NmrOneD 331974 Specdb::NmrOneD 331975 Specdb::NmrOneD 331976 Specdb::NmrOneD 331977 Specdb::NmrOneD 331978 Specdb::NmrOneD 331979 Specdb::NmrOneD 331980 Specdb::NmrOneD 331981 HMDB35214 42223 EMO #<Reference:0x000055ce32c76b58> #<Reference:0x000055ce32c76978> #<Reference:0x000055ce32c76748> #<Reference:0x000055ce32c76590> #<Reference:0x000055ce32c763d8> #<Reference:0x000055ce32c76220> Dock Type 1 specific Rumex 3618 Garden rhubarb Type 1 specific Rheum rhabarbarum 3621 Sorrel Type 1 specific Rumex acetosa 41241 Advanced glycation end products inhibitor 33 A substance that diminishes the rate of a chemical reaction. 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). Allergenic 43 A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. Anti bacterial 145 A substance that kills or slows the growth of bacteria. Anti cytomegalovirus 217 A substance that destroys or inhibits replication of viruses. Anti feedant 275 Anti leukemic 393 A substance that inhibits or prevents the proliferation of neoplasms. Anti methicillin-resistant Staphylococcus aureus 447 A substance that kills or slows the growth of bacteria. Anti neoplastic 465 A substance that inhibits or prevents the proliferation of neoplasms. Anti proliferant 547 Anti sarcomic 592 A substance that inhibits or prevents the proliferation of neoplasms. Anti septic 603 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. Anti ulcer 676 One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract. Anti-aggregant 94 Anti-angiogenic 115 An agent and endogenous substances that antagonize or inhibit the development of new blood vessels. Anti-inflammatory 370 A substance that reduces or suppresses inflammation. Anti-lymphomic 414 Anti-mutagenic 451 Anti-plaque 531 Anti-spasmodic 619 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-sprout 624 Anti-vaginitic 686 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-viral 689 A substance that destroys or inhibits replication of viruses. Antitumor 672 A substance that inhibits or prevents the proliferation of neoplasms. Cathartic 784 Any 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. Central nervous system depressant 812 A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system. Collagenase inhibitor 823 A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. Cyclooxygenase-2 inhibitor 841 A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2. Cytotoxic 859 A role played by the molecular entity or part thereof which causes the development of a pathological process. Differentiator 880 Estrogenic 922 Genotoxic 950 A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells. Gonadotropic 961 Hypolipidemic 1020 Immunostimulant 1032 A substance that augments, stimulates, activates, potentiates, or modulates the immune response at either the cellular or humoral level. A classical agent (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contains bacterial antigens. It could also be endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Its mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy is related to its antigen-specific immunoadjuvanticity. Immunosuppressant 1033 An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. iNOS inhibitor 1036 A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. Leucocytogenic 1069 Matrix-metalloproteinase-2 inhibitor 1110 Matrix-metalloproteinase-7 inhibitor 1111 Matrix-metalloproteinase-9 inhibitor 1112 Mutagenic 1125 Nitric-oxide inhibitor 1167 A substance that diminishes the rate of a chemical reaction. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Prostaglandin synthesis inhibitor 1258 A substance that diminishes the rate of a chemical reaction. Prostaglandin-E2 inhibitor 1211 A substance that diminishes the rate of a chemical reaction. Protein kinase C inhibitor 1231 An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of protein kinase C (EC 2.7.11.13). Protein-tyrosine-kinase inhibitor 1271 A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. Purgative 1275 An 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. Styptic 1331 Topoisomerase-II inhibitor 1366 A topoisomerase inhibitor that inhibits DNA topoisomerase (ATP-hydrolysing), EC 5.99.1.3 (topoisomerase II), which catalyses ATP-dependent breakage of both strands of DNA, passage of the unbroken strands through the breaks, and rejoining of the broken strands. Trichomonicide 1379 Tyrosine-kinase inhibitor 1390 A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. Vasodilator 1413 A drug used to cause dilation of the blood vessels. Vasorelaxant 1417