1.0 2010-04-08 22:10:15 UTC 2025-11-18 23:38:00 UTC FDB012575 Ellagic acid Widely distributed in higher plants especies dicotyledons. Intestinal astringent, dietary role disputed. Nutriceutical with anticancer and antioxidation props. Ellagic acid is a Polyphenol compound found in numerous fruits and vegetables, including, raspberries; Ellagic acid is a polyphenol antioxidant found in numerous fruits and vegetables including raspberries, strawberries, cranberries, walnuts, pecans, pomegranates and other plant foods. The antiproliferative and antioxidant properties of ellagic acid have spurred preliminary research into the potential health benefits of ellagic acid consumption.; and other plant foods. It is often regarded as an antioxidant. Ellagic Acid Clinical Tests on cultured human cells also show that Ellagic acid prevents the destruction of the p53 gene by cancer cells. Additional studies suggest that one of the mechanisms by which Ellagic acid inhibits mutagenesis and carcinogenesis is by forming adducts with DNA, thus masking binding sites to be occupied by the mutagen or carcinogen.; cranberries; pecans; pomegranates; strawberries; walnuts. 2,3,7,8-Tetrahydroxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione 2,3,7,8-Tetrahydroxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 9CI 4,4',5,5',6,6'-Hexahydroxydiphenate 2,6,2',6'-dilactone 4,4',5,5',6,6'-Hexahydroxydiphenic acid 2,6,2',6'-dilactone Acide ellagique Acido elagico Acidum ellagicum Alizarin yellow Alizarine yellow Benzoarate Benzoaric acid Elagostasine Eleagate Eleagic acid Ellagate Ellagic acid dihydrate Ellagic acid hydrate Ellagsaeure Gallogen Gallogen? Kajidin Lagistase Llagate Llagic acid C14H6O8 302.194 302.006267153 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione 476-66-4 OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2 InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H AFSDNFLWKVMVRB-UHFFFAOYSA-N belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Hydrolyzable tannins Organic compounds Phenylpropanoids and polyketides Tannins Hydrolyzable tannins Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 2-benzopyrans 7,8-dihydroxycoumarins Ellagic acids and derivatives Heteroaromatic compounds Hydrocarbon derivatives Isocoumarins and derivatives Lactones Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2-benzopyran 7,8-dihydroxycoumarin Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumarin Ellagic_acid Heteroaromatic compound Hydrocarbon derivative Hydrolyzable tannin Isocoumarin Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Polyol Pyran Pyranone Ellagitannins catechols cyclic ketone lactone organic heterotetracyclic compound polyphenol Liquid logp 1.59 ALOGPS logs -2.57 ALOGPS solubility 8.23e-01 g/l ALOGPS melting_point Mp 360° logp 2.32 ChemAxon pka_strongest_acidic 5.54 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione ChemAxon average_mass 302.194 ChemAxon mono_mass 302.006267153 ChemAxon smiles OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2 ChemAxon formula C14H6O8 ChemAxon inchi InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H ChemAxon inchikey AFSDNFLWKVMVRB-UHFFFAOYSA-N ChemAxon polar_surface_area 133.52 ChemAxon refractivity 70.61 ChemAxon polarizability 26.34 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2397 Specdb::CMs 38492 Specdb::CMs 155873 Specdb::NmrTwoD 1846 Specdb::NmrOneD 1911 Specdb::NmrOneD 166345 Specdb::NmrOneD 166549 Specdb::MsMs 2155 Specdb::MsMs 2156 Specdb::MsMs 7877 Specdb::MsMs 7878 Specdb::MsMs 7879 Specdb::MsMs 14549 Specdb::MsMs 14550 Specdb::MsMs 14551 Specdb::MsMs 374049 Specdb::MsMs 374220 Specdb::MsMs 439743 Specdb::MsMs 449854 Specdb::MsMs 449855 Specdb::MsMs 450626 Specdb::MsMs 2325177 Specdb::MsMs 2325178 Specdb::MsMs 2325179 Specdb::MsMs 2609981 Specdb::MsMs 2609982 Specdb::MsMs 2609983 HMDB02899 REF #<Reference:0x000055ce329547b8> #<Reference:0x000055ce329545d8> #<Reference:0x000055ce32954420> #<Reference:0x000055ce32954240> #<Reference:0x000055ce32954038> #<Reference:0x000055ce3295fa78> American cranberry Type 1 specific Vaccinium macrocarpon 13750 0.3 0.3 0.3 mg/100 g Apple Type 1 specific Malus pumila 283210 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 Arctic blackberry Type 1 specific Rubus arcticus 70741 17.15 17.149999619 17.149999619 mg/100 g Bilberry Type 1 specific Vaccinium myrtillus 180763 0.0 0.0 0.0 mg/100 g Black raspberry Type 1 specific Rubus occidentalis 75079 38.0 38.0 38.0 mg/100 g Black walnut Type 1 specific Juglans nigra 16719 3.5 3.5 3.5 mg/100 g Blackberry Type 1 specific Rubus 16.955 31.91 2.0 mg/100 g Bog bilberry Type 1 specific Vaccinium uliginosum 190548 0.0 0.0 0.0 mg/100 g Brazil nut Type 1 specific Bertholletia excelsa 3645 Carrot Type 1 specific Daucus carota ssp. sativus 79200 0.0 0.0 0.0 mg/100 g Chestnut Type 1 specific Castanea 21019 735.444444 735.444444444 735.444444444 mg/100 g Cloudberry Type 1 specific Rubus chamaemorus 57936 14.93125 15.300000191 14.5625 mg/100 g Cloves Type 1 specific Syzygium aromaticum 219868 Coffee Type 1 generic Coffea 13442 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 sage Type 1 specific Salvia officinalis 38868 Common walnut Type 1 specific Juglans regia 51240 91.9306 252.5 5.903000093 mg/100 g Coriander Type 1 specific Coriandrum sativum 4047 0.0 0.0 0.0 mg/100 g European chestnut Type 1 specific Castanea sativa 21020 European cranberry Type 1 specific Vaccinium oxycoccos 516948 Evening primrose Type 1 specific Oenothera biennis 3942 Evergreen blackberry Type 1 specific Rubus laciniatus 31.91 31.91 31.91 mg/100 g Fenugreek Type 1 specific Trigonella foenum-graecum 78534 0.0 0.0 0.0 mg/100 g Fruit juice Type 2 specific Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 0.0 0.0 0.0 mg/100 g Grape Type 1 specific Vitis 3603 Grape wine Type 2 specific 0.0 0.0 0.0 mg/100 g Guava Type 1 specific Psidium guajava 120290 Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 4.033417 10.0 0.629166654 mg/100 g Japanese walnut Type 1 specific Juglans ailanthifolia 91209 80.666667 145.666666667 15.666666667 mg/100 g Java plum Type 1 specific Syzygium cumini 260142 Liquor Type 2 specific 1.22 1.220000029 1.220000029 mg/100 g Lowbush blueberry Type 1 specific Vaccinium angustifolium 472369 0.0 0.0 0.0 mg/100 g Muscadine grape Type 1 specific Vitis rotundifolia 103349 0.915893 0.934285713 0.897499993 mg/100 g Peach Type 1 specific Prunus persica 3760 Pecan nut Type 1 specific Carya illinoinensis 32201 Pomegranate Type 1 specific Punica granatum 22663 9.671667 17.280000687 2.063333313 mg/100 g Rabbiteye blueberry Type 1 specific Vaccinium virgatum 3.01 3.01 3.01 mg/100 g Red raspberry Type 1 specific Rubus idaeus 32247 37.440527 150.0 0.841153851 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 37.788334 43.666666667 31.910001119 mg/100 g Rum Type 2 specific 0.213 0.213000002 0.213000002 mg/100 g Rye bread Type 2 specific 0.0 0.0 0.0 mg/100 g Spirit Type 2 specific 1.132639 1.132638931 1.132638931 mg/100 g Strawberry Type 1 specific Fragaria X ananassa 3747 30.847322 63.0 1.238235292 mg/100 g Strawberry guava Type 1 specific Psidium cattleianum 375274 Tropical highland blackberry Type 1 specific Rubus adenotrichos 2.0 2.0 2.0 mg/100 g Turnip Type 1 specific Brassica rapa var. rapa 51350 1.3244 1.324399948 1.324399948 mg/100 g Whisky Type 2 specific 0.830106 0.830106042 0.830106042 mg/100 g Abortifacient 13 A chemical substance that interrupts pregnancy after implantation. Aldose reductase inhibitor 40 An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21). 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 aflatoxin 92 A substance that diminishes the rate of a chemical reaction. Anti bacterial 145 A substance that kills or slows the growth of bacteria. Anti cariogenic 165 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti glucose-tolerance-factor 313 Anti HIV 333 A substance that destroys or inhibits replication of viruses. Anti hyperthyroid 353 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti periodontic 515 Anti peroxidant 519 Anti plasmodial 532 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. Anti septic 603 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. Anti-anaphylactic 111 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-cancer 159 A substance that inhibits or prevents the proliferation of neoplasms. Anti-cataract 168 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-gingivitic 298 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-inflammatory 370 A substance that reduces or suppresses inflammation. Anti-malarial 416 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. 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. Anti-plaque 531 Anti-streptococcic 631 A substance that kills or slows the growth of bacteria. Anti-thyroid 654 Anti-viral 689 A substance that destroys or inhibits replication of viruses. Anti-yeast 697 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. Antitumor 672 A substance that inhibits or prevents the proliferation of neoplasms. Apoptotic 704 Astringent 712 A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions. Cancer preventive 754 A substance that inhibits or prevents the proliferation of neoplasms. Candida-secreted-aspartyl-proteinase inhibitor 755 A substance that diminishes the rate of a chemical reaction. Cytotoxic 859 A role played by the molecular entity or part thereof which causes the development of a pathological process. Deiodinase inhibitor 865 A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. Detoxicant 877 Any protective agent counteracting or neutralizing the action of poisons. Glucosyl-transferase inhibitor 953 A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. Hemostatic 977 Hepatoprotective 981 Any compound that is able to prevent damage to the liver. HIV-reverse-transcriptase inhibitor 994 A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. Juvabional 1058 Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Quinone-reductase inducer 1277 Sunscreen 1337 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Topoisomerase-I antagonist 1367 A topoisomerase inhibitor that inhibits the bacterial enzymes of the DNA topoisomerases, Type I class (EC 5.99.1.2) that catalyze ATP-independent breakage of one of the two strands of DNA, passage of the unbroken strand through the break, and rejoining of the broken strand. These bacterial enzymes reduce the topological stress in the DNA structure by relaxing negatively, but not positively, supercoiled DNA. Xanthine oxidase inhibitor 1431 An EC 1.17.3.* (oxidoreductase acting on CH or CH2 with oxygen as acceptor) inhibitor that interferes with the action of xanthine oxidase (EC 1.17.3.2).