1.0 2016-05-26 00:23:11 UTC 2026-05-14 19:28:43 UTC Hypericin SmallMolecule Hypericin is an organic compound with the chemical formula C30H16O8. Hypericin belongs to the benzopyrenes, a subclass of pyrenes within the organic compounds. With an average molecular weight of 504.44 g/mol, Hypericin is a heavy molecule. This compound is found in or released from 14 recorded sources across several sectors. Within Electrical & Electronic Equipment, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is also found in textiles, leather & furnishings, specifically within carpets and rugs as well as synthetic textiles. In the food, food processing & cookware sector, it is linked to food packaging. Further sources include medical devices in the healthcare, pharmaceuticals & veterinary products sector, and lubricants used in both energy, oil & gas and industrial manufacturing & chemical processing, along with two additional sectors. Recorded exposure routes for the substance include inhalation, oral, and touch. Biologically, Hypericin acts on two recorded protein targets. It functions as an inhibitor of Glutathione S-transferase A1 (GSTA1) and Glutathione S-transferase P (GSTP1). PFAS Phytotoxin 1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione C30H16O8 504.4432 504.084517488 5,7,11,18,22,24-hexahydroxy-13,16-dimethyloctacyclo[13.11.1.1²,¹⁰.0³,⁸.0⁴,²⁵.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione hypericin 548-04-9 CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C4=C3C3=C2C1=C1C(C)=CC(O)=C2C(=O)C5=C(O)C=C(O)C4=C5C3=C12 InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3 BTXNYTINYBABQR-UHFFFAOYSA-N Organic compounds Benzenoids Pyrenes Benzopyrenes Benzopyrenes 1-hydroxy-2-unsubstituted benzenoids Anthracenes Chrysenes Hydrocarbon derivatives Naphthols and derivatives Organic oxides Phenanthro-perylenequinones Phenanthrols Polyols Triphenylenes Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-naphthol 2-naphthol Anthracene Aromatic homopolycyclic compound Benzo-a-pyrene Benzo-e-pyrene Chrysene Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Perylenequinone Phenanthrene Phenanthro-perylenequinone Phenanthrol Polyol Triphenylene Vinylogous acid Aromatic homopolycyclic compounds Anthracenes and phenanthrenes Anthracenes and phenanthrenes Anthrone type carbopolycyclic compound Detected and Not Quantified logp 7.7 logp 3.92 ALOGPS logs -4.84 ALOGPS solubility 7.32e-03 g/l ALOGPS logp 7.7 ChemAxon pka_strongest_acidic 1.39 ChemAxon pka_strongest_basic 16.11 ChemAxon iupac 5,7,11,18,22,24-hexahydroxy-13,16-dimethyloctacyclo[13.11.1.1²,¹⁰.0³,⁸.0⁴,²⁵.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione ChemAxon average_mass 504.4432 ChemAxon mono_mass 504.084517488 ChemAxon smiles CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C4=C3C3=C2C1=C1C(C)=CC(O)=C2C(=O)C5=C(O)C=C(O)C4=C5C3=C12 ChemAxon formula C30H16O8 ChemAxon inchi InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3 ChemAxon inchikey BTXNYTINYBABQR-UHFFFAOYSA-N ChemAxon polar_surface_area 155.52 ChemAxon refractivity 139.31 ChemAxon polarizability 50.96 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7267927300> DB13014 5281051 4444511 BE0002281 BE0000814