1.0 2010-04-08 22:10:05 UTC 2019-11-26 03:06:31 UTC FDB012285 Tricetanidin Isolated from black tea (Thea sinensis). Tricetanidin is found in tea. 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium(1+), 9CI Tricetanidin Tricetinidin Tricetinidin chloride C15H11O6 287.2442 287.055563084 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium tricetinidin 65618-21-5 OC1=CC(O)=C2C=CC(=[O+]C2=C1)C1=CC(O)=C(O)C(O)=C1 InChI=1S/C15H10O6/c16-8-5-10(17)9-1-2-13(21-14(9)6-8)7-3-11(18)15(20)12(19)4-7/h1-6H,(H4-,16,17,18,19,20)/p+1 CMPNIWQMRYYTMK-UHFFFAOYSA-O belongs to the class of organic compounds known as 7-hydroxyflavonoids. These are flavonoids that bear one hydroxyl group at the C-7 position of the flavonoid skeleton. 7-hydroxyflavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids Hydroxyflavonoids Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Anthocyanidins Benzene and substituted derivatives Heteroaromatic compounds Hydrocarbon derivatives Organic cations Oxacyclic compounds Polyols Pyrogallols and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Anthocyanidin Aromatic heteropolycyclic compound Benzenetriol Benzenoid Benzopyran Heteroaromatic compound Hydrocarbon derivative Monocyclic benzene moiety Organic cation Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Pyrogallol derivative Anthocyanidins logp 2.52 ALOGPS logs -3.76 ALOGPS solubility 5.56e-02 g/l ALOGPS logp 3.05 ChemAxon pka_strongest_acidic 6.56 ChemAxon pka_strongest_basic -5.9 ChemAxon iupac 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium ChemAxon average_mass 287.2442 ChemAxon mono_mass 287.055563084 ChemAxon smiles OC1=CC(O)=C2C=CC(=[O+]C2=C1)C1=CC(O)=C(O)C(O)=C1 ChemAxon formula C15H11O6 ChemAxon inchi InChI=1S/C15H10O6/c16-8-5-10(17)9-1-2-13(21-14(9)6-8)7-3-11(18)15(20)12(19)4-7/h1-6H,(H4-,16,17,18,19,20)/p+1 ChemAxon inchikey CMPNIWQMRYYTMK-UHFFFAOYSA-O ChemAxon polar_surface_area 114.29 ChemAxon refractivity 84.11 ChemAxon polarizability 28.25 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 26317 Specdb::CMs 43673 Specdb::CMs 173227 Specdb::MsMs 69588 Specdb::MsMs 69589 Specdb::MsMs 69590 Specdb::MsMs 127902 Specdb::MsMs 127903 Specdb::MsMs 127904 Specdb::MsMs 2722680 Specdb::MsMs 2722681 Specdb::MsMs 2722682 HMDB34043 #<Reference:0x000055ce32e3e738> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442