1.0 2010-04-08 22:05:26 UTC 2025-11-18 22:38:24 UTC FDB002572 Catechin 3-gallate Constituent of Bergenia crassifolia (Siberian tea). Catechin 3-gallate is found in many foods, some of which are macadamia nut (m. tetraphylla), tea, avocado, and pecan nut. (+)-Catechin 3-gallate 3-Galloylcatechin Catechin 3-gallate Catechin 3-O-gallate C22H18O10 442.3723 442.089996796 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate epicatechin gallate 25615-05-8 OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C=C1 InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2 LSHVYAFMTMFKBA-UHFFFAOYSA-N belongs to the class of organic compounds known as catechin gallates. These are organic compounds containing a gallate moiety glycosidically linked to a catechin. Catechin gallates Organic compounds Phenylpropanoids and polyketides Flavonoids Flavans Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Benzoyl derivatives Carboxylic acid esters Catechols Galloyl esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Polyols Pyrogallols and derivatives m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alkyl aryl ether Aromatic heteropolycyclic compound Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzopyran Benzoyl Carboxylic acid derivative Carboxylic acid ester Catechin gallate Catechol Chromane Ether Gallic acid or derivatives Galloyl ester Hydrocarbon derivative Hydroxyflavonoid M-hydroxybenzoic acid ester Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Polyol Pyrogallol derivative logp 2.55 ALOGPS logs -4.00 ALOGPS solubility 4.43e-02 g/l ALOGPS logp 3.38 ChemAxon pka_strongest_acidic 8.03 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate ChemAxon average_mass 442.3723 ChemAxon mono_mass 442.089996796 ChemAxon smiles OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C=C1 ChemAxon formula C22H18O10 ChemAxon inchi InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2 ChemAxon inchikey LSHVYAFMTMFKBA-UHFFFAOYSA-N ChemAxon polar_surface_area 177.14 ChemAxon refractivity 109.76 ChemAxon polarizability 42.71 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15893 Specdb::CMs 42068 Specdb::CMs 124493 Specdb::CMs 132096 Specdb::CMs 139830 Specdb::CMs 155696 Specdb::CMs 155698 Specdb::CMs 155700 Specdb::CMs 280056 Specdb::MsMs 52989 Specdb::MsMs 52990 Specdb::MsMs 52991 Specdb::MsMs 124209 Specdb::MsMs 124210 Specdb::MsMs 124211 Specdb::MsMs 452002 Specdb::MsMs 2443897 Specdb::MsMs 2443898 Specdb::MsMs 2443899 Specdb::MsMs 2522112 Specdb::MsMs 2522113 Specdb::MsMs 2522114 HMDB30661 #<Reference:0x000055ce31f5a4b0> Allium Type 1 specific Allium 4678 0.0 0.0 0.0 mg/100 g Almond Type 1 specific Prunus dulcis 3755 0.0 0.0 0.0 mg/100 g American cranberry Type 1 specific Vaccinium macrocarpon 13750 0.0 0.0 0.0 mg/100 g Apple Type 1 specific Malus pumila 283210 0.001818 0.01 0.0 mg/100 g Apricot Type 1 specific Prunus armeniaca 36596 0.0 0.0 0.0 mg/100 g Arabica coffee Type 1 specific Coffea arabica 13443 0.0 0.0 0.0 mg/100 g Avocado Type 1 specific Persea americana 3435 0.0 0.0 0.0 mg/100 g Banana Type 1 specific Musa acuminata 4641 0.0 0.0 0.0 mg/100 g Beer Type 2 specific 0.0 0.0 0.0 mg/100 g Black tea Type 1 9.231307 147.8 0.0 mg/100 g Blackcurrant Type 1 specific Ribes nigrum 78511 0.0 0.0 0.0 mg/100 g Brazil nut Type 1 specific Bertholletia excelsa 3645 0.0 0.0 0.0 mg/100 g Broad bean Type 1 specific Vicia faba 3906 0.0 0.0 0.0 mg/100 g Broccoli Type 1 specific Brassica oleracea var. italica 36774 0.0 0.0 0.0 mg/100 g Brussel sprouts Type 1 specific Brassica oleracea var. gemmifera 178616 0.0 0.0 0.0 mg/100 g Carob Type 1 specific Ceratonia siliqua 20340 30.06 30.06 30.06 mg/100 g Carrot Type 1 specific Daucus carota ssp. sativus 79200 0.0 0.0 0.0 mg/100 g Cashew nut Type 1 specific Anacardium occidentale 171929 0.075 0.15 0.0 mg/100 g Cauliflower Type 1 specific Brassica oleracea var. botrytis 3715 0.0 0.0 0.0 mg/100 g Chickpea Type 1 specific Cicer arietinum 3827 0.0 0.0 0.0 mg/100 g Chicory Type 1 specific Cichorium intybus 13427 0.0 0.0 0.0 mg/100 g Chinese cabbage Type 1 specific Brassica rapa 3711 0.0 0.0 0.0 mg/100 g Coffee Type 1 generic Coffea 13442 0.0 0.0 0.0 mg/100 g Colorado pinyon Type 1 specific Pinus edulis 3340 0.0 0.0 0.0 mg/100 g Common bean Type 1 specific Phaseolus vulgaris 3885 0.0 0.0 0.0 mg/100 g Common beet Type 1 specific Beta vulgaris 161934 0.0 0.0 0.0 mg/100 g Common buckwheat Type 1 specific Fagopyrum esculentum 3617 0.78 0.78 0.78 mg/100 g Common cabbage Type 1 specific Brassica oleracea 3712 0.0 0.0 0.0 mg/100 g Common grape Type 1 specific Vitis vinifera 29760 0.0 0.0 0.0 mg/100 g Common hazelnut Type 1 specific Corylus avellana 13451 0.0 0.0 0.0 mg/100 g Common mushroom Type 1 specific Agaricus bisporus 5341 0.0 0.0 0.0 mg/100 g Common pea Type 1 specific Pisum sativum 3888 0.0 0.0 0.0 mg/100 g Common persimmon Type 1 specific Diospyros virginiana 13493 0.0 0.0 0.0 mg/100 g Common walnut Type 1 specific Juglans regia 51240 0.0 0.0 0.0 mg/100 g Corn Type 1 specific Zea mays 4577 0.0 0.0 0.0 mg/100 g Cucumber Type 1 specific Cucumis sativus 3659 0.0 0.0 0.0 mg/100 g Cucurbita Type 1 specific Cucurbita 3660 0.0 0.0 0.0 mg/100 g Custard apple Type 1 specific Annona reticulata 301862 0.04 0.04 0.04 mg/100 g Date Type 1 specific Phoenix dactylifera 42345 0.0 0.0 0.0 mg/100 g Eggplant Type 1 specific Solanum melongena 4111 0.0 0.0 0.0 mg/100 g Endive Type 1 specific Cichorium endivia 114280 0.0 0.0 0.0 mg/100 g European chestnut Type 1 specific Castanea sativa 21020 0.0 0.0 0.0 mg/100 g European plum Type 1 specific Prunus domestica 3758 0.38 0.76 0.0 mg/100 g Fig Type 1 specific Ficus carica 3494 0.0 0.0 0.0 mg/100 g Fruit-flavor drink Type 2 specific 0.0 0.0 0.0 mg/100 g Garden rhubarb Type 1 specific Rheum rhabarbarum 3621 0.545 0.6 0.49 mg/100 g Garden tomato Type 1 specific Solanum lycopersicum 4081 0.0 0.0 0.0 mg/100 g German camomile Type 1 specific Matricaria recutita 127986 0.09 0.090000004 0.090000004 mg/100 g Globe artichoke Type 1 specific Cynara scolymus 59895 0.0 0.0 0.0 mg/100 g Gooseberry Type 1 specific Ribes uva-crispa 135518 0.0 0.0 0.0 mg/100 g Grape Type 1 specific Vitis 3603 1.076667 2.81 0.17 mg/100 g Grape wine Type 2 specific 0.003333 0.01 0.0 mg/100 g Grapefruit Type 1 specific Citrus X paradisi 37656 0.0 0.0 0.0 mg/100 g Green tea Type 1 9.231307 147.8 0.0 mg/100 g Hazelnut Type 1 specific Corylus 13450 0.0 0.0 0.0 mg/100 g Herbal tea Type 1 11.859333 147.8 0.0 mg/100 g Hot chocolate Type 2 specific 0.0 0.0 0.0 mg/100 g Kiwi Type 1 specific Actinidia chinensis 3625 0.031111 0.083333333 0.0 mg/100 g Lentils Type 1 generic Lens culinaris 3864 0.0 0.0 0.0 mg/100 g Lettuce Type 1 specific Lactuca sativa 4236 0.0 0.0 0.0 mg/100 g Macadamia nut Type 1 specific Macadamia 4329 0.0 0.0 0.0 mg/100 g Macadamia nut (M. tetraphylla) Type 1 specific Macadamia tetraphylla 512563 0.0 0.0 0.0 mg/100 g Mango Type 1 specific Mangifera indica 29780 0.0 0.0 0.0 mg/100 g Medlar Type 1 specific Mespilus germanica 36616 0.23 0.23 0.23 mg/100 g Muscadine grape Type 1 specific Vitis rotundifolia 103349 0.0 0.0 0.0 mg/100 g Muskmelon Type 1 specific Cucumis melo 3656 0.0 0.0 0.0 mg/100 g Nectarine Type 1 specific Prunus persica var. nucipersica 323851 0.0 0.0 0.0 mg/100 g Olive Type 1 specific Olea europaea 4146 0.0 0.0 0.0 mg/100 g Other candy Type 2 specific 0.0 0.0 0.0 mg/100 g Pasta Type 2 specific 0.0 0.0 0.0 mg/100 g Peach Type 1 specific Prunus persica 3760 0.0 0.0 0.0 mg/100 g Peanut Type 1 specific Arachis hypogaea 3818 0.0 0.0 0.0 mg/100 g Pear Type 1 specific Pyrus communis 23211 0.006667 0.02 0.0 mg/100 g Pecan nut Type 1 specific Carya illinoinensis 32201 0.0 0.0 0.0 mg/100 g Pepper Type 1 specific Capsicum annuum 4072 0.0 0.0 0.0 mg/100 g Peppermint Type 1 specific Mentha X piperita 34256 0.45 0.449999988 0.449999988 mg/100 g Pine nut Type 1 specific Pinus 3337 0.0 0.0 0.0 mg/100 g Pineapple Type 1 specific Ananas comosus 4615 0.0 0.0 0.0 mg/100 g Pistachio Type 1 specific Pistacia vera 55513 0.0 0.0 0.0 mg/100 g Pomegranate Type 1 specific Punica granatum 22663 0.0 0.0 0.0 mg/100 g Potato Type 1 specific Solanum tuberosum 4113 0.0 0.0 0.0 mg/100 g Prunus (Cherry, Plum) Type 1 specific Prunus 3754 0.0 0.0 0.0 mg/100 g Quince Type 1 specific Cydonia oblonga 36610 0.0 0.0 0.0 mg/100 g Radish Type 1 specific Raphanus sativus 3726 0.0 0.0 0.0 mg/100 g Rapini Type 1 specific Brassica ruvo 1204434 0.0 0.0 0.0 mg/100 g Red tea Type 1 11.859333 147.8 0.0 mg/100 g Redcurrant Type 1 specific Ribes rubrum 175228 0.0 0.0 0.0 mg/100 g Rice Type 1 specific Oryza sativa 4530 0.0 0.0 0.0 mg/100 g Robusta coffee Type 1 specific Coffea canephora 49390 0.0 0.0 0.0 mg/100 g Rubus (Blackberry, Raspberry) Type 1 specific Rubus 23216 0.0 0.0 0.0 mg/100 g Strawberry Type 1 specific Fragaria X ananassa 3747 0.075 0.15 0.0 mg/100 g Sweet cherry Type 1 specific Prunus avium 42229 0.05 0.05 0.05 mg/100 g Sweet orange Type 1 specific Citrus sinensis 2711 0.0 0.0 0.0 mg/100 g Tea Type 1 specific Camellia sinensis 4442 9.231307 147.8 0.0 mg/100 g Vaccinium (Blueberry, Cranberry, Huckleberry) Type 1 specific Vaccinium 13749 0.0 0.0 0.0 mg/100 g Watermelon Type 1 specific Citrullus lanatus 3654 0.0 0.0 0.0 mg/100 g Wheat bread Type 2 specific 0.0 0.0 0.0 mg/100 g Wild celery Type 1 specific Apium graveolens 4045 0.0 0.0 0.0 mg/100 g Wild leek Type 1 specific Allium ampeloprasum 4681 0.0 0.0 0.0 mg/100 g