1.0 2010-04-08 22:05:33 UTC 2019-11-26 02:58:04 UTC FDB002876 2alpha-Hydroxyalantolactone Constituent of Inula helenium (elecampane). 2alpha-Hydroxyalantolactone is found in herbs and spices. 2-hydroxyalantolactone 2a-Hydroxyalantolactone 2alpha-Hydroxy alantolactone C15H20O3 248.3175 248.141244506 7-hydroxy-5,8a-dimethyl-3-methylidene-2H,3H,3aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one 7-hydroxy-5,8a-dimethyl-3-methylidene-3aH,5H,6H,7H,8H,9H,9aH-naphtho[2,3-b]furan-2-one 68776-45-4 CC1CC(O)CC2(C)CC3OC(=O)C(=C)C3C=C12 InChI=1S/C15H20O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h5,8,10-11,13,16H,2,4,6-7H2,1,3H3 FZSKLHDEGWSLTB-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 Cyclic alcohols and derivatives 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 Cyclic alcohol 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 2.10 ALOGPS logs -2.52 ALOGPS solubility 7.51e-01 g/l ALOGPS logp 1.91 ChemAxon pka_strongest_acidic 19.01 ChemAxon pka_strongest_basic -1 ChemAxon iupac 7-hydroxy-5,8a-dimethyl-3-methylidene-2H,3H,3aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one ChemAxon average_mass 248.3175 ChemAxon mono_mass 248.141244506 ChemAxon smiles CC1CC(O)CC2(C)CC3OC(=O)C(=C)C3C=C12 ChemAxon formula C15H20O3 ChemAxon inchi InChI=1S/C15H20O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h5,8,10-11,13,16H,2,4,6-7H2,1,3H3 ChemAxon inchikey FZSKLHDEGWSLTB-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 68.94 ChemAxon polarizability 27.09 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21880 Specdb::CMs 42247 Specdb::CMs 131219 Specdb::CMs 138953 Specdb::MsMs 67200 Specdb::MsMs 67201 Specdb::MsMs 67202 Specdb::MsMs 124953 Specdb::MsMs 124954 Specdb::MsMs 124955 Specdb::MsMs 3053180 Specdb::MsMs 3053181 Specdb::MsMs 3053182 Specdb::MsMs 3114479 Specdb::MsMs 3114480 Specdb::MsMs 3114481 HMDB30910 #<Reference:0x000055ce31e8f8f0> Herbs and Spices Unknown generic