1.0 2010-04-08 22:11:19 UTC 2019-11-26 03:10:16 UTC FDB014528 Naematolone Metabolite of Hypholoma capnoides (conifer tuft). Naematolone is found in mushrooms. Naematolon Naematolone Nematolone C17H22O5 306.3536 306.146723814 (5Z)-8-hydroxy-6,10,10-trimethyl-2-methylidene-3,7-dioxobicyclo[7.2.0]undec-5-en-4-yl acetate (5Z)-8-hydroxy-6,10,10-trimethyl-2-methylidene-3,7-dioxobicyclo[7.2.0]undec-5-en-4-yl acetate 92121-62-5 CC(=O)OC1\C=C(C)/C(=O)C(O)C2C(CC2(C)C)C(=C)C1=O InChI=1S/C17H22O5/c1-8-6-12(22-10(3)18)15(20)9(2)11-7-17(4,5)13(11)16(21)14(8)19/h6,11-13,16,21H,2,7H2,1,3-5H3/b8-6- BBRNVDBLOTVLMB-VURMDHGXSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Alpha-acyloxy ketones Carboxylic acid esters Cyclic ketones Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aliphatic homopolycyclic compound Alpha-acyloxy ketone Carbonyl group Carboxylic acid derivative Carboxylic acid ester Caryophyllane sesquiterpenoid Cyclic ketone Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Sesquiterpenoid logp 1.57 ALOGPS logs -2.76 ALOGPS solubility 5.27e-01 g/l ALOGPS logp 2.12 ChemAxon pka_strongest_acidic 11.02 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (5Z)-8-hydroxy-6,10,10-trimethyl-2-methylidene-3,7-dioxobicyclo[7.2.0]undec-5-en-4-yl acetate ChemAxon average_mass 306.3536 ChemAxon mono_mass 306.146723814 ChemAxon smiles CC(=O)OC1\C=C(C)/C(=O)C(O)C2C(CC2(C)C)C(=C)C1=O ChemAxon formula C17H22O5 ChemAxon inchi InChI=1S/C17H22O5/c1-8-6-12(22-10(3)18)15(20)9(2)11-7-17(4,5)13(11)16(21)14(8)19/h6,11-13,16,21H,2,7H2,1,3-5H3/b8-6- ChemAxon inchikey BBRNVDBLOTVLMB-VURMDHGXSA-N ChemAxon polar_surface_area 80.67 ChemAxon refractivity 80.74 ChemAxon polarizability 31.86 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20005 Specdb::CMs 44559 Specdb::CMs 152427 Specdb::MsMs 56208 Specdb::MsMs 56209 Specdb::MsMs 56210 Specdb::MsMs 111573 Specdb::MsMs 111574 Specdb::MsMs 111575 Specdb::MsMs 2349083 Specdb::MsMs 2349084 Specdb::MsMs 2349085 Specdb::MsMs 2586961 Specdb::MsMs 2586962 Specdb::MsMs 2586963 HMDB35781 #<Reference:0x000055ce30f7f928> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322