1.0 2016-05-22 03:26:45 UTC 2026-05-14 19:00:05 UTC Ellagic acid SmallMolecule Ellagic acid (C14H6O8) is a compound with an average molecular weight of 302.19 g/mol. Ellagic acid belongs to the hydrolyzable tannins, a subclass of tannins within the organic compounds. In industrial applications, it is used as a softener and conditioner, while biologically it functions as an antioxidant (PMC8253632). It is found in or released from 27 recorded sources across several sectors, including energy, oil & gas (lubricants); healthcare, pharmaceuticals & veterinary products (medical devices); textiles, leather & furnishings (carpets and rugs, synthetic textiles); household cleaning & consumer products (tobacco pipes, pipe accessories, ash trays); electrical & electronic equipment (printed circuit boards, batteries, wires and cables, capacitors, cell phones, and 4 more); and food, food processing & cookware (preparation of malt, molasses and treatment of molasses, cellar tools, food contact materials, food packaging, and 4 more). Recorded exposure routes include oral, touch, and inhalation. At the molecular level, there are 20 recorded protein targets for this compound, including its role as an inhibitor of carbonic anhydrase 1 (CA1), carbonic anhydrase 2 (CA2), carbonic anhydrase 3 (CA3), carbonic anhydrase 4 (CA4), and 16 other proteins. Regarding health effects, ellagic acid is associated with inflammation (PMC10812391) and cancer (PMC7589480). However, it exhibits therapeutic effects on obesity (PMC12196537), liver inflammation (PMC12196537), cataract (PMC3731457), inflammation (PMC5330449), cancer (PMC11421477), and breast cancer (PMC13305355). Additionally, it is used as a treatment for male infertility (PMC8523395). PFAS Phytotoxin 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 Organic compounds Phenylpropanoids and polyketides Tannins Hydrolyzable tannins Hydrolyzable tannins 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 Aromatic heteropolycyclic compounds Ellagitannins catechols cyclic ketone lactone organic heterotetracyclic compound polyphenol Detected and Not Quantified logp 2.32 logp 1.59 ALOGPS logs -2.57 ALOGPS solubility 8.23e-01 g/l ALOGPS 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 #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb3843a28> DB08846 5281855 70359 BE0000267 BE0000322 BE0003625 BE0000535 BE0003626 BE0003627 BE0003628 BE0003629 BE0002437 BE0001653 BE0003634 BE0001209 BE0003761 BE0001132 BE0000872 BE0001316 BE0000577 BE0010433 BE0001065 BE0012549