1.0 2010-04-08 22:05:08 UTC 2025-11-18 22:33:12 UTC FDB001840 Theasaponin F1 Theasaponin f1, also known as tcm f1, is a member of the class of compounds known as naphthacenes. Naphthacenes are compounds containing a naphthacene moiety, which is a polyaromatic hydrocarbon made of four linearly fused benzene rings. Theasaponin f1 is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Theasaponin f1 can be found in tea, which makes theasaponin f1 a potential biomarker for the consumption of this food product. (+)-Theasaponin F1 Hypericin Tetracenomycin F1 C20H14O7 366.321 366.073952802 3,8,10,12-tetrahydroxy-1-methyl-11-oxo-6,11-dihydrotetracene-2-carboxylic acid tetracenomycin F1 878049-13-9 CC1=C(C(O)=O)C(O)=CC2=CC3=C(C(O)=C12)C(=O)C1=C(O)C=C(O)C=C1C3 InChI=1S/C20H14O7/c1-7-14-10(5-12(22)15(7)20(26)27)3-8-2-9-4-11(21)6-13(23)16(9)19(25)17(8)18(14)24/h3-6,21-24H,2H2,1H3,(H,26,27) BJSNGVYBQJIGRT-UHFFFAOYSA-N belongs to the class of organic compounds known as naphthacenes. Naphthacenes are compounds containing a naphthacene moiety, which is a polyaromatic hydrocarbon made of four linearly fused benzene rings. Naphthacenes Organic compounds Benzenoids Naphthacenes Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Anthracenecarboxylic acids Aryl ketones Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Naphthalenecarboxylic acids Naphthols and derivatives Organic oxides Polyols Salicylic acid and derivatives Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-naphthol 2-naphthalenecarboxylic acid 2-naphthalenecarboxylic acid or derivatives 2-naphthol Anthracene carboxylic acid Anthracene carboxylic acid or derivatives Aromatic homopolycyclic compound Aryl ketone Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxybenzoic acid Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Polyol Salicylic acid or derivatives Tetracene Vinylogous acid hydroxy monocarboxylic acid phenols tetracenomycin logp 2.69 ALOGPS logs -4.04 ALOGPS solubility 3.34e-02 g/l ALOGPS logp 5.45 ChemAxon pka_strongest_acidic 2.56 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 3,8,10,12-tetrahydroxy-1-methyl-11-oxo-6,11-dihydrotetracene-2-carboxylic acid ChemAxon average_mass 366.321 ChemAxon mono_mass 366.073952802 ChemAxon smiles CC1=C(C(O)=O)C(O)=CC2=CC3=C(C(O)=C12)C(=O)C1=C(O)C=C(O)C=C1C3 ChemAxon formula C20H14O7 ChemAxon inchi InChI=1S/C20H14O7/c1-7-14-10(5-12(22)15(7)20(26)27)3-8-2-9-4-11(21)6-13(23)16(9)19(25)17(8)18(14)24/h3-6,21-24H,2H2,1H3,(H,26,27) ChemAxon inchikey BJSNGVYBQJIGRT-UHFFFAOYSA-N ChemAxon polar_surface_area 135.29 ChemAxon refractivity 96.98 ChemAxon polarizability 36.85 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 3352 Specdb::CMs 1084020 Specdb::MsMs 56214 Specdb::MsMs 56215 Specdb::MsMs 56216 Specdb::MsMs 111585 Specdb::MsMs 111586 Specdb::MsMs 111587 Specdb::MsMs 3598705 Specdb::MsMs 3598706 Specdb::MsMs 3598707 Specdb::MsMs 3598708 Specdb::MsMs 3598709 Specdb::MsMs 3598710 32205 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442