1.0 2010-04-08 22:10:13 UTC 2025-11-18 23:37:25 UTC FDB012511 Theaflavin Constituent of black tea (Camellia sinensis) Theaflavins are polyphenols that are formed from catechins in tea leaves during the enzymatic oxidation (called fermentation by the tea trade) of tea leaves . Theaflavin is found in tea, german camomile, and peppermint. 1,8-Bis(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-5H-benzocyclohepten-5-one, 9CI Theaflavine C29H24O12 564.4937 564.126776232 3,4,6-trihydroxy-1,8-bis(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulen-5-one 3,4,6-trihydroxy-1,8-bis(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)benzo[7]annulen-5-one 4670-05-7 OC1CC2=C(O)C=C(O)C=C2OC1C1=CC(O)=C(O)C2=C1C=C(C=C(O)C2=O)C1OC2=CC(O)=CC(O)=C2CC1O InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38) IPMYMEWFZKHGAX-UHFFFAOYSA-N belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol. Catechins Organic compounds Phenylpropanoids and polyketides Flavonoids Flavans Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Organic oxides Oxacyclic compounds Polyols Secondary alcohols Tropolones Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechin Chromane Ether Hydrocarbon derivative Hydroxyflavonoid Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Polyol Secondary alcohol Tropolone Tropone Vinylogous acid Solid logp 1.84 ALOGPS logs -3.41 ALOGPS solubility 2.19e-01 g/l ALOGPS melting_point Mp 237-240° dec. logp 2.83 ChemAxon pka_strongest_acidic 7.73 ChemAxon pka_strongest_basic 2.89 ChemAxon iupac 3,4,6-trihydroxy-1,8-bis(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulen-5-one ChemAxon average_mass 564.4937 ChemAxon mono_mass 564.126776232 ChemAxon smiles OC1CC2=C(O)C=C(O)C=C2OC1C1=CC(O)=C(O)C2=C1C=C(C=C(O)C2=O)C1OC2=CC(O)=CC(O)=C2CC1O ChemAxon formula C29H24O12 ChemAxon inchi InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38) ChemAxon inchikey IPMYMEWFZKHGAX-UHFFFAOYSA-N ChemAxon polar_surface_area 217.6 ChemAxon refractivity 144.27 ChemAxon polarizability 55.97 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 12 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 11348 Specdb::MsMs 11349 Specdb::MsMs 11350 Specdb::MsMs 18020 Specdb::MsMs 18021 Specdb::MsMs 18022 Specdb::CMs 41394 Specdb::CMs 64343 Specdb::CMs 948879 Specdb::CMs 948880 Specdb::CMs 948881 Specdb::CMs 948882 Specdb::CMs 948883 Specdb::CMs 948884 Specdb::CMs 948885 Specdb::CMs 948886 Specdb::CMs 948887 Specdb::CMs 948888 Specdb::CMs 948889 Specdb::CMs 948890 Specdb::CMs 948891 Specdb::CMs 948892 Specdb::CMs 948893 Specdb::CMs 948894 Specdb::CMs 948895 Specdb::CMs 948896 Specdb::CMs 948897 Specdb::CMs 948898 Specdb::CMs 948899 Specdb::CMs 948900 Specdb::CMs 948901 HMDB05788 Black tea Type 1 148.696308 1260.0 0.0 mg/100 g German camomile Type 1 specific Matricaria recutita 127986 0.0 0.0 0.0 mg/100 g Green tea Type 1 148.696308 1260.0 0.0 mg/100 g Herbal tea Type 1 97.182308 1260.0 0.0 mg/100 g Peppermint Type 1 specific Mentha X piperita 34256 0.0 0.0 0.0 mg/100 g Red tea Type 1 97.182308 1260.0 0.0 mg/100 g Tea Type 1 specific Camellia sinensis 4442 84.442482 1260.0 0.0 mg/100 g Anti bacterial 145 A substance that kills or slows the growth of bacteria. Anti carcinogenic 161 A substance that inhibits or prevents the proliferation of neoplasms. Anti-oxidant 502 A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324. Anti-viral 689 A substance that destroys or inhibits replication of viruses. Fungicide 940 A substance used to destroy fungal pests. Lipoxygenase inhibitor 1077 A compound or agent that combines with lipoxygenase and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of the icosanoid products hydroxyicosatetraenoic acid and various leukotrienes. Mitogen 1107 A chemical substance that encourages a cell to commence cell division, triggering mitosis.