1.0 2010-04-08 22:11:35 UTC 2019-11-26 03:11:04 UTC FDB014979 Vulgarin Constituent of Artemisia vulgaris (mugwort). Vulgarin is found in mugwort. Barrelin Judaicin Judaicin (eudesmane naphthofuran) Judaicin (sesquiterpene) Tauremisin Tauremisin A Tauremizin Tauresmin Vulgarin C15H20O4 264.3169 264.136159128 9-hydroxy-3,5a,9-trimethyl-2H,3H,3aH,4H,5H,5aH,6H,9H,9aH,9bH-naphtho[1,2-b]furan-2,6-dione judaicin 3162-56-9 CC1C2CCC3(C)C(C2OC1=O)C(C)(O)C=CC3=O InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3 NGPDZEACIWDCKX-UHFFFAOYSA-N belongs to the class of organic compounds known as eudesmanolides, secoeudesmanolides, and derivatives. These are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton. Eudesmanolides, secoeudesmanolides, and derivatives Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Carboxylic acid esters Cyclohexenones Gamma butyrolactones Hydrocarbon derivatives Monocarboxylic acids and derivatives Naphthofurans Organic oxides Oxacyclic compounds Sesquiterpenoids Tertiary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclohexenone Eudesmanolide Gamma butyrolactone Hydrocarbon derivative Ketone Lactone Monocarboxylic acid or derivatives Naphthofuran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Sesquiterpenoid Tertiary alcohol Tetrahydrofuran logp 0.75 ALOGPS logs -2.30 ALOGPS solubility 1.32e+00 g/l ALOGPS melting_point Mp 174-175° logp 1.78 ChemAxon pka_strongest_acidic 14.25 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 9-hydroxy-3,5a,9-trimethyl-2H,3H,3aH,4H,5H,5aH,6H,9H,9aH,9bH-naphtho[1,2-b]furan-2,6-dione ChemAxon average_mass 264.3169 ChemAxon mono_mass 264.136159128 ChemAxon smiles CC1C2CCC3(C)C(C2OC1=O)C(C)(O)C=CC3=O ChemAxon formula C15H20O4 ChemAxon inchi InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3 ChemAxon inchikey NGPDZEACIWDCKX-UHFFFAOYSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 69.83 ChemAxon polarizability 27.77 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12401 Specdb::CMs 44741 Specdb::CMs 158169 Specdb::MsMs 7631 Specdb::MsMs 7632 Specdb::MsMs 7633 Specdb::MsMs 11471 Specdb::MsMs 11472 Specdb::MsMs 11473 Specdb::MsMs 14303 Specdb::MsMs 14304 Specdb::MsMs 14305 Specdb::MsMs 18143 Specdb::MsMs 18144 Specdb::MsMs 18145 Specdb::MsMs 2294397 Specdb::MsMs 2294398 Specdb::MsMs 2294399 Specdb::MsMs 2641432 Specdb::MsMs 2641433 Specdb::MsMs 2641434 HMDB36130 #<Reference:0x000055ce31de8f50> Mugwort Type 1 specific Artemisia vulgaris 4220 Antitumor 672 A substance that inhibits or prevents the proliferation of neoplasms. Cardiotonic 771 A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. Cytotoxic 859 A role played by the molecular entity or part thereof which causes the development of a pathological process. Parasympathomimetic 1200