1.0 2010-04-08 22:13:15 UTC 2019-11-26 03:15:05 UTC FDB017705 Gallocatechin Widespread in plants; found especies in green tea, redcurrants, gooseberries and marrowfat peas. Potential nutriceutical. Gallocatechin is found in many foods, some of which are broad bean, broccoli, quince, and common grape. (+)-Gallocatechin (+)-Gallocatechol (+)-trans-3,3',4',5,5',7-Hexahydroxyflavan (2R,3S)-(+)-Gallocatechin (2R,3S)-Flavan-3,3',4',5,5',7-hexol (2R,3S)-Flavan-3,5,7,3',4',5'-hexol (2R,3S)-Gallocatechin 3,3',4',5,5',7-Hexahydroxyflavan; (+)-trans-form Casuarin D-Gallocatechin Gallocatechin Gallocatechol C15H14O7 306.27 306.073952791 (2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol (+)-gallocatechin 970-73-0 O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1 InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1 XMOCLSLCDHWDHP-SWLSCSKDSA-N belongs to the class of organic compounds known as epigallocatechins. Epigallocatechins are compounds containing epigallocatechin or a derivative. Epigallocatechin is a flavan-3-ol containing a benzopyran-3,5,7-triol linked to a 3,4,5-hydroxyphenyl moiety. Epigallocatechins 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 Benzene and substituted derivatives Hydrocarbon derivatives Oxacyclic compounds Polyols Pyrogallols and derivatives Secondary alcohols 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 Benzenetriol Benzenoid Benzopyran Chromane Epigallocatechin Ether Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Pyrogallol derivative Secondary alcohol Flavan 3-ols Flavans, Flavanols and Leucoanthocyanidins Flavans, Flavanols and Leucoanthocyanidins catechin flavan-3,3',4',5,5',7-hexol logp 0.71 ALOGPS logs -2.55 ALOGPS solubility 8.71e-01 g/l ALOGPS melting_point Mp 189-191° logp 1.49 ChemAxon pka_strongest_acidic 8.73 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac (2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol ChemAxon average_mass 306.27 ChemAxon mono_mass 306.073952791 ChemAxon smiles O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1 ChemAxon formula C15H14O7 ChemAxon inchi InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1 ChemAxon inchikey XMOCLSLCDHWDHP-SWLSCSKDSA-N ChemAxon polar_surface_area 130.61 ChemAxon refractivity 75.98 ChemAxon polarizability 29.03 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 7 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5839 Specdb::CMs 45786 Specdb::CMs 133041 Specdb::CMs 140775 Specdb::MsMs 68424 Specdb::MsMs 68425 Specdb::MsMs 68426 Specdb::MsMs 126450 Specdb::MsMs 126451 Specdb::MsMs 126452 Specdb::MsMs 440425 Specdb::MsMs 440426 Specdb::MsMs 440427 Specdb::MsMs 440428 Specdb::MsMs 2738848 Specdb::MsMs 2738849 Specdb::MsMs 2738850 Specdb::MsMs 2969552 Specdb::MsMs 2969553 Specdb::MsMs 2969554 HMDB38365 #<Reference:0x000055ce30cb4770> Adzuki bean Type 1 specific Vigna angularis 3914 Almond Type 1 specific Prunus dulcis 3755 0.0 0.0 0.0 mg/100 g Apple Type 1 specific Malus pumila 283210 0.0 0.0 0.0 mg/100 g Apple cider Type 2 specific 0.0 0.0 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 Barley Type 1 specific Hordeum vulgare 4513 Beer Type 2 specific 0.0 0.0 0.0 mg/100 g Bilberry Type 1 specific Vaccinium myrtillus 180763 Black tea Type 1 5.249426 14.01193553 0.788333337 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 4.84 9.680000305 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 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 0.0 0.0 0.0 mg/100 g Cauliflower Type 1 specific Brassica oleracea var. botrytis 3715 0.0 0.0 0.0 mg/100 g Chestnut Type 1 specific Castanea 21019 0.01 0.01 0.01 mg/100 g Chickpea Type 1 specific Cicer arietinum 3827 0.0 0.0 0.0 mg/100 g Chocolate Type 2 specific 0.0 0.0 0.0 mg/100 g Cocoa bean Type 1 specific Theobroma cacao 3641 Coffee Type 1 generic Coffea 13442 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 cabbage Type 1 specific Brassica oleracea 3712 0.0 0.0 0.0 mg/100 g Common grape Type 1 specific Vitis vinifera 29760 0.006429 0.012857142 0.0 mg/100 g Common hazelnut Type 1 specific Corylus avellana 13451 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 walnut Type 1 specific Juglans regia 51240 0.0 0.0 0.0 mg/100 g Common wheat Type 1 specific Triticum aestivum 4565 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 Cottonseed Type 1 specific Gossypium 3633 4.0 4.0 4.0 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 0.0 0.0 0.0 mg/100 g Eggplant Type 1 specific Solanum melongena 4111 0.0 0.0 0.0 mg/100 g European cranberry Type 1 specific Vaccinium oxycoccos 516948 0.0 0.0 0.0 mg/100 g European plum Type 1 specific Prunus domestica 3758 0.0 0.0 0.0 mg/100 g Fig Type 1 specific Ficus carica 3494 0.0 0.0 0.0 mg/100 g Fruits Unknown generic Garden rhubarb Type 1 specific Rheum rhabarbarum 3621 0.0 0.0 0.0 mg/100 g Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 0.0 0.0 0.0 mg/100 g Ginkgo nuts Type 1 specific Ginkgo biloba 3311 Gooseberry Type 1 specific Ribes uva-crispa 135518 0.44 0.439999998 0.439999998 mg/100 g Gram bean Type 1 specific Vigna mungo 3915 Grape wine Type 2 specific 0.089111 0.180000007 0.003333333 mg/100 g Green bean Type 1 specific Phaseolus vulgaris 3885 0.0 0.0 0.0 mg/100 g Green bell pepper Type 1 specific Capsicum annuum 4072 0.0 0.0 0.0 mg/100 g Green tea Type 1 5.249426 14.01193553 0.788333337 mg/100 g Green zucchini Type 1 specific Cucurbita pepo var. cylindrica 0.0 0.0 0.0 mg/100 g Guava Type 1 specific Psidium guajava 120290 Herbal tea Type 1 Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 0.0 0.0 0.0 mg/100 g Hot chocolate Type 2 specific 0.0 0.0 0.0 mg/100 g Italian sweet red pepper Type 1 specific Capsicum annuum 4072 0.0 0.0 0.0 mg/100 g Japanese persimmon Type 1 specific Diospyros kaki 35925 0.17 0.169999997 0.169999997 mg/100 g Kiwi Type 1 specific Actinidia chinensis 3625 0.0 0.0 0.0 mg/100 g Lentils Type 1 generic Lens culinaris 3864 0.14 0.140000006 0.140000006 mg/100 g Lettuce Type 1 specific Lactuca sativa 4236 0.0 0.0 0.0 mg/100 g Lingonberry Type 1 specific Vaccinium vitis-idaea 180772 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 0.0 0.0 0.0 mg/100 g Mung bean Type 1 specific Vigna radiata 157791 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 Oxheart cabbage Type 1 specific Brassica oleracea var. conica 0.0 0.0 0.0 mg/100 g Peach (var.) Type 1 specific Prunus persica var. persica 323852 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 0.0 0.0 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 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 0.17 0.169999997 0.169999997 mg/100 g Potato Type 1 specific Solanum tuberosum 4113 0.0 0.0 0.0 mg/100 g Pulses Unknown generic Quince Type 1 specific Cydonia oblonga 36610 0.0 0.0 0.0 mg/100 g Red beetroot Type 1 specific Beta vulgaris var. rubra 0.0 0.0 0.0 mg/100 g Red bell pepper Type 1 specific Capsicum annuum 4072 0.0 0.0 0.0 mg/100 g Red raspberry Type 1 specific Rubus idaeus 32247 0.0 0.0 0.0 mg/100 g Red tea Type 1 Redcurrant Type 1 specific Ribes rubrum 175228 0.987857 1.275714329 0.699999988 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 Sapodilla Type 1 specific Manilkara zapota 3741 Strawberry Type 1 specific Fragaria X ananassa 3747 0.025714 0.051428569 0.0 mg/100 g Sweet bay Type 1 specific Laurus nobilis 85223 Sweet cherry Type 1 specific Prunus avium 42229 0.0 0.0 0.0 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 5.249426 14.01193553 0.788333337 mg/100 g Wheat bread Type 2 specific 0.0 0.0 0.0 mg/100 g Yellow wax bean Type 1 specific Phaseolus vulgaris 3885 0.0 0.0 0.0 mg/100 g Yellow zucchini Type 1 specific Cucurbita pepo var. cylindrica 0.0 0.0 0.0 mg/100 g bitter Angiotensin converting enzyme inhibitor 18 An EC 3.4.15.* (peptidyl-dipeptidase) inhibitor that interferes with the action of peptidyl-dipeptidase A (EC 3.4.15.1). Anti nociceptive 484 A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system. Anti thyrotoxic 655 Any protective agent counteracting or neutralizing the action of poisons. Anti-mutagenic 451 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. Bactericide 722 A substance that kills or slows the growth of bacteria. Beta-adrenergic receptor blocker 727 Any agent that acts on an adrenergic receptor or affects the life cycle of an adrenergic transmitter.