1.0 2010-04-08 22:11:47 UTC 2019-11-26 03:11:29 UTC FDB015346 Emodinanthrone Isolated from Hypericum perforatum (St. John's wort). Emodinanthrone is found in many foods, some of which are alcoholic beverages, tea, herbs and spices, and garden rhubarb. 1,3,8-Trihydroxy-6-methyl-9(10H)-anthracenone 1,3,8-Trihydroxy-6-methylanthrone 1,6,8-trihydroxy-3-methyl-10-hydroanthracen-9-one 6-Methyl-1,3,8,9-anthracenetetrol Emodin anthrone Emodinanthranol Emodinanthrone Emodinol Frangula emodin anthrone Frangulaemodinanthranol Frangulaemodinanthrone Protophyscihydrone C15H12O4 256.2534 256.073558872 1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracen-9-one 1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one 491-60-1 CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3CC2=C1 InChI=1S/C15H12O4/c1-7-2-8-4-9-5-10(16)6-12(18)14(9)15(19)13(8)11(17)3-7/h2-3,5-6,16-18H,4H2,1H3 LAJSXCAVRQXZIO-UHFFFAOYSA-N belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings. Anthracenes Organic compounds Benzenoids Anthracenes 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 Anthracene Aromatic homopolycyclic compound Aryl ketone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Polyol Vinylogous acid a hydroxyanthraquinone logp 2.55 ALOGPS logs -3.19 ALOGPS solubility 1.65e-01 g/l ALOGPS melting_point Mp 250-258 dec. (236°) logp 4.45 ChemAxon pka_strongest_acidic 7.97 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracen-9-one ChemAxon average_mass 256.2534 ChemAxon mono_mass 256.073558872 ChemAxon smiles CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3CC2=C1 ChemAxon formula C15H12O4 ChemAxon inchi InChI=1S/C15H12O4/c1-7-2-8-4-9-5-10(16)6-12(18)14(9)15(19)13(8)11(17)3-7/h2-3,5-6,16-18H,4H2,1H3 ChemAxon inchikey LAJSXCAVRQXZIO-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 71.3 ChemAxon polarizability 26.51 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 87537 Specdb::MsMs 87538 Specdb::MsMs 87539 Specdb::MsMs 150057 Specdb::MsMs 150058 Specdb::MsMs 150059 Specdb::MsMs 2751940 Specdb::MsMs 2751941 Specdb::MsMs 2751942 Specdb::MsMs 2930892 Specdb::MsMs 2930893 Specdb::MsMs 2930894 Specdb::CMs 13585 Specdb::CMs 44881 Specdb::CMs 158010 HMDB36457 #<Reference:0x000055ce32272120> Alcoholic beverages Unknown generic Black tea Type 1 Garden rhubarb Type 1 specific Rheum rhabarbarum 3621 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442