1.0 2010-04-08 22:13:52 UTC 2019-11-26 03:16:29 UTC FDB018676 3beta-Hydroxycinnamolide Constituent of Marasmius oreades (fairy ring mushroom). 3beta-Hydroxycinnamolide is found in mushrooms. 3b-Hydroxycinnamolide C15H22O3 250.3334 250.15689457 7-hydroxy-6,6,9a-trimethyl-1H,3H,5H,5aH,6H,7H,8H,9H,9aH,9bH-naphtho[1,2-c]furan-3-one 7-hydroxy-6,6,9a-trimethyl-1H,5H,5aH,7H,8H,9H,9bH-naphtho[1,2-c]furan-3-one CC1(C)C(O)CCC2(C)C3COC(=O)C3=CCC12 InChI=1S/C15H22O3/c1-14(2)11-5-4-9-10(8-18-13(9)17)15(11,3)7-6-12(14)16/h4,10-12,16H,5-8H2,1-3H3 BXRHNOVSIVSFJG-UHFFFAOYSA-N belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Naphthofurans Organic compounds Organoheterocyclic compounds Naphthofurans Aliphatic heteropolycyclic compounds Carbonyl compounds Cyclic alcohols and derivatives Enoate esters Gamma butyrolactones Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Enoate ester Gamma butyrolactone Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Naphthofuran Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Secondary alcohol Tetrahydrofuran logp 3.08 ALOGPS logs -2.73 ALOGPS solubility 4.63e-01 g/l ALOGPS melting_point Mp 164.5-167° logp 2.22 ChemAxon pka_strongest_acidic 19.55 ChemAxon pka_strongest_basic -0.81 ChemAxon iupac 7-hydroxy-6,6,9a-trimethyl-1H,3H,5H,5aH,6H,7H,8H,9H,9aH,9bH-naphtho[1,2-c]furan-3-one ChemAxon average_mass 250.3334 ChemAxon mono_mass 250.15689457 ChemAxon smiles CC1(C)C(O)CCC2(C)C3COC(=O)C3=CCC12 ChemAxon formula C15H22O3 ChemAxon inchi InChI=1S/C15H22O3/c1-14(2)11-5-4-9-10(8-18-13(9)17)15(11,3)7-6-12(14)16/h4,10-12,16H,5-8H2,1-3H3 ChemAxon inchikey BXRHNOVSIVSFJG-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 69.14 ChemAxon polarizability 27.47 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 55800 Specdb::MsMs 55801 Specdb::MsMs 55802 Specdb::MsMs 111030 Specdb::MsMs 111031 Specdb::MsMs 111032 Specdb::MsMs 2284909 Specdb::MsMs 2284910 Specdb::MsMs 2284911 Specdb::MsMs 3080592 Specdb::MsMs 3080593 Specdb::MsMs 3080594 Specdb::CMs 15774 Specdb::CMs 46293 Specdb::CMs 163856 HMDB39156 #<Reference:0x000055ce319ad620> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322