1.0 2010-04-08 22:12:32 UTC 2019-11-26 03:13:31 UTC FDB016610 Lactaronecatorin A Constituent of Lactarius blennius (slimy milk cap). Lactaronecatorin A is found in mushrooms. 8-Hydroxy-8,9-seco-2(9),6-lactaradien-5,14-olide Blennin C C15H22O3 250.3334 250.15689457 3-[2-(4,4-dimethylcyclopent-1-en-1-yl)propyl]-4-(hydroxymethyl)-2,5-dihydrofuran-2-one 3-[2-(4,4-dimethylcyclopent-1-en-1-yl)propyl]-4-(hydroxymethyl)-5H-furan-2-one 62824-38-8 CC(CC1=C(CO)COC1=O)C1=CCC(C)(C)C1 InChI=1S/C15H22O3/c1-10(11-4-5-15(2,3)7-11)6-13-12(8-16)9-18-14(13)17/h4,10,16H,5-9H2,1-3H3 ASKJTZIKSPCIKT-UHFFFAOYSA-N belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Terpene lactones Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteromonocyclic compounds Butenolides Carbonyl compounds Enoate esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Oxacyclic compounds Primary alcohols 2-furanone Alcohol Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dihydrofuran Enoate ester Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Monocyclic monoterpenoid Monoterpenoid Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Primary alcohol Terpene lactone logp 2.86 ALOGPS logs -3.02 ALOGPS solubility 2.38e-01 g/l ALOGPS logp 2.41 ChemAxon pka_strongest_acidic 14.2 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3-[2-(4,4-dimethylcyclopent-1-en-1-yl)propyl]-4-(hydroxymethyl)-2,5-dihydrofuran-2-one ChemAxon average_mass 250.3334 ChemAxon mono_mass 250.15689457 ChemAxon smiles CC(CC1=C(CO)COC1=O)C1=CCC(C)(C)C1 ChemAxon formula C15H22O3 ChemAxon inchi InChI=1S/C15H22O3/c1-10(11-4-5-15(2,3)7-11)6-13-12(8-16)9-18-14(13)17/h4,10,16H,5-9H2,1-3H3 ChemAxon inchikey ASKJTZIKSPCIKT-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 71.83 ChemAxon polarizability 27.74 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20902 Specdb::CMs 45441 Specdb::CMs 168608 Specdb::MsMs 8642 Specdb::MsMs 8643 Specdb::MsMs 8644 Specdb::MsMs 15314 Specdb::MsMs 15315 Specdb::MsMs 15316 Specdb::MsMs 2336917 Specdb::MsMs 2336918 Specdb::MsMs 2336919 Specdb::MsMs 2628698 Specdb::MsMs 2628699 Specdb::MsMs 2628700 HMDB37529 #<Reference:0x000055ce31c0f558> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322