1.0 2010-04-08 22:05:08 UTC 2025-11-18 22:33:12 UTC FDB001841 Theasaponin F2 Theasaponin f2 is a member of the class of compounds known as anthracenes. Anthracenes are organic compounds containing a system of three linearly fused benzene rings. Theasaponin f2 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Theasaponin f2 can be found in tea, which makes theasaponin f2 a potential biomarker for the consumption of this food product. (+)-Theasaponin F2 2-Hexanoyl-1,3,6,8-tetrahydroxy-anthraquinone 2-Hexanoyl-1,3,6,8-tetrahydroxyanthraquinone 9,10-Anthracenedione, 1,3,6,8-tetrahydroxy-2-(1-oxohexyl)- Anthraquinone, 2-hexanoyl-1,3,6,8-tetrahydroxy- Norsolorinic acid Tetracenomycin F2 C20H16O8 384.3362 384.084517488 (3Z)-4-(3-acetyl-4,5,7-trihydroxy-10-oxo-9,10-dihydroanthracen-2-yl)-3-hydroxybut-3-enoic acid tetracenomycin F2 878049-14-0 CC(=O)C1=C(O)C2=C(CC3=CC(O)=CC(O)=C3C2=O)C=C1\C=C(/O)CC(O)=O InChI=1S/C20H16O8/c1-8(21)16-10(4-13(23)7-15(25)26)2-9-3-11-5-12(22)6-14(24)17(11)20(28)18(9)19(16)27/h2,4-6,22-24,27H,3,7H2,1H3,(H,25,26)/b13-4- OVIPDYYHLHEFDF-PQMHYQBVSA-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 Acetophenones Aryl alkyl ketones Carboxylic acids Enols Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Polyols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetophenone Anthracene Aromatic homopolycyclic compound Aryl alkyl ketone Aryl ketone Carbonyl group Carboxylic acid Carboxylic acid derivative Enol Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Polyol Vinylogous acid logp 2.14 ALOGPS logs -3.85 ALOGPS solubility 5.47e-02 g/l ALOGPS logp 3.72 ChemAxon pka_strongest_acidic 3.32 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (3Z)-4-(3-acetyl-4,5,7-trihydroxy-10-oxo-9,10-dihydroanthracen-2-yl)-3-hydroxybut-3-enoic acid ChemAxon average_mass 384.3362 ChemAxon mono_mass 384.084517488 ChemAxon smiles CC(=O)C1=C(O)C2=C(CC3=CC(O)=CC(O)=C3C2=O)C=C1\C=C(/O)CC(O)=O ChemAxon formula C20H16O8 ChemAxon inchi InChI=1S/C20H16O8/c1-8(21)16-10(4-13(23)7-15(25)26)2-9-3-11-5-12(22)6-14(24)17(11)20(28)18(9)19(16)27/h2,4-6,22-24,27H,3,7H2,1H3,(H,25,26)/b13-4- ChemAxon inchikey OVIPDYYHLHEFDF-PQMHYQBVSA-N ChemAxon polar_surface_area 152.36 ChemAxon refractivity 100.18 ChemAxon polarizability 38.01 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 79128 Specdb::MsMs 79129 Specdb::MsMs 79130 Specdb::MsMs 139653 Specdb::MsMs 139654 Specdb::MsMs 139655 Specdb::MsMs 3598711 Specdb::MsMs 3598712 Specdb::MsMs 3598713 Specdb::MsMs 3598714 Specdb::MsMs 3598715 Specdb::MsMs 3598716 32207 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442