1.0 2010-04-08 22:11:35 UTC 2019-11-26 03:11:04 UTC FDB014984 3-Epiarmefolin Constituent of Tanacetum vulgare (tansy). 3-Epiarmefolin is found in herbs and spices. 3-Epiarmefolin C15H20O4 264.3169 264.136159128 6,8-dihydroxy-5a,9-dimethyl-3-methylidene-2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9bH-naphtho[1,2-b]furan-2-one 6,8-dihydroxy-5a,9-dimethyl-3-methylidene-3aH,4H,5H,6H,7H,8H,9bH-naphtho[1,2-b]furan-2-one 293313-26-5 CC1=C2C3OC(=O)C(=C)C3CCC2(C)C(O)CC1O InChI=1S/C15H20O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h9-11,13,16-17H,1,4-6H2,2-3H3 VRHFGDDYTIJYIX-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 Carbonyl compounds Enoate esters Gamma butyrolactones Hydrocarbon derivatives Monocarboxylic acids and derivatives Naphthofurans Organic oxides Oxacyclic compounds Secondary alcohols Sesquiterpenoids Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Eudesmanolide Gamma butyrolactone Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Naphthofuran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Sesquiterpenoid Tetrahydrofuran logp 0.84 ALOGPS logs -1.72 ALOGPS solubility 5.08e+00 g/l ALOGPS logp 0.88 ChemAxon pka_strongest_acidic 14.23 ChemAxon pka_strongest_basic -3 ChemAxon iupac 6,8-dihydroxy-5a,9-dimethyl-3-methylidene-2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9bH-naphtho[1,2-b]furan-2-one ChemAxon average_mass 264.3169 ChemAxon mono_mass 264.136159128 ChemAxon smiles CC1=C2C3OC(=O)C(=C)C3CCC2(C)C(O)CC1O ChemAxon formula C15H20O4 ChemAxon inchi InChI=1S/C15H20O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h9-11,13,16-17H,1,4-6H2,2-3H3 ChemAxon inchikey VRHFGDDYTIJYIX-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 69.84 ChemAxon polarizability 27.69 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 11984 Specdb::MsMs 11985 Specdb::MsMs 11986 Specdb::MsMs 18656 Specdb::MsMs 18657 Specdb::MsMs 18658 Specdb::MsMs 2473940 Specdb::MsMs 2473941 Specdb::MsMs 2473942 Specdb::MsMs 2491238 Specdb::MsMs 2491239 Specdb::MsMs 2491240 Specdb::CMs 10120 Specdb::CMs 44743 Specdb::CMs 130953 Specdb::CMs 138687 Specdb::NmrOneD 133798 Specdb::NmrOneD 133799 Specdb::NmrOneD 133800 Specdb::NmrOneD 133801 Specdb::NmrOneD 133802 Specdb::NmrOneD 133803 Specdb::NmrOneD 133804 Specdb::NmrOneD 133805 Specdb::NmrOneD 133806 Specdb::NmrOneD 133807 Specdb::NmrOneD 133808 Specdb::NmrOneD 133809 Specdb::NmrOneD 133810 Specdb::NmrOneD 133811 Specdb::NmrOneD 133812 Specdb::NmrOneD 133813 Specdb::NmrOneD 133814 Specdb::NmrOneD 133815 Specdb::NmrOneD 133816 Specdb::NmrOneD 133817 HMDB36135 #<Reference:0x000055ce33570678> Herbs and Spices Unknown generic