1.0 2010-04-08 22:11:29 UTC 2019-11-26 03:10:48 UTC FDB014820 Xanthopurpurin obtained from Asperula odorata (sweet wooddruff). Xanthopurpurin is found in tea, herbs and spices, and beverages. 1,3-dihydroxy-9,10-anthracenedione 1,3-Dihydroxy-9,10-anthracenedione, 9CI 1,3-dihydroxy-9,10-anthraquinone 1,3-Dihydroxy-anthraquinone 1,3-dihydroxyanthracene-9,10-dione 1,3-Dihydroxyanthraquinone 2-(Methoxymethyl)-1,3-dihydroxyanthraquinone 9,10-Anthracenedione, 1,3-dihydroxy- 9,10-Anthracenedione, 1,3-dihydroxy- (9CI) Anthraquinone, 1,3-dihydroxy- Lucidin omega-methyl ether Purpuro Purpuroxanthin Purpuroxanthine Purpuroxathin Purpuroxathine Xanthopurpin Xanthopurpurin C14H8O4 240.2109 240.042258744 1,3-dihydroxy-9,10-dihydroanthracene-9,10-dione purpuro 518-83-2 OC1=CC2=C(C(O)=C1)C(=O)C1=CC=CC=C1C2=O InChI=1S/C14H8O4/c15-7-5-10-12(11(16)6-7)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,15-16H WPWWKBNOXTZDQJ-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 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 Vinylogous acid dihydroxyanthraquinone logp 3.01 ALOGPS logs -2.99 ALOGPS solubility 2.45e-01 g/l ALOGPS melting_point Mp 268-270° logp 2.96 ChemAxon pka_strongest_acidic 7.43 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 1,3-dihydroxy-9,10-dihydroanthracene-9,10-dione ChemAxon average_mass 240.2109 ChemAxon mono_mass 240.042258744 ChemAxon smiles OC1=CC2=C(C(O)=C1)C(=O)C1=CC=CC=C1C2=O ChemAxon formula C14H8O4 ChemAxon inchi InChI=1S/C14H8O4/c15-7-5-10-12(11(16)6-7)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,15-16H ChemAxon inchikey WPWWKBNOXTZDQJ-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 65.11 ChemAxon polarizability 23.38 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10758 Specdb::CMs 44682 Specdb::CMs 170932 Specdb::MsMs 79794 Specdb::MsMs 79795 Specdb::MsMs 79796 Specdb::MsMs 140472 Specdb::MsMs 140473 Specdb::MsMs 140474 Specdb::MsMs 440583 Specdb::MsMs 2251387 Specdb::MsMs 3056816 Specdb::MsMs 3056817 Specdb::MsMs 3056818 Specdb::MsMs 3113090 Specdb::MsMs 3113091 Specdb::MsMs 3113092 HMDB36006 37502 #<Reference:0x00007f093c021d58> Beverages Unknown generic Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442