1.0 2010-04-08 22:14:13 UTC 2019-11-26 03:17:15 UTC FDB019221 Hericenone H Constituent of the edible lion's mane mushroom (Hericium erinaceum). Hericenone H is found in mushrooms. C37H54O6 594.8211 594.39203946 [8-formyl-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-en-1-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]methyl (9E,12E)-octadeca-9,12-dienoate [8-formyl-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-en-1-yl)-3,4-dihydro-1-benzopyran-7-yl]methyl (9E,12E)-octadeca-9,12-dienoate 141973-37-7 CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC1=CC(OC)=C2CCC(C)(CC(=O)C=C(C)C)OC2=C1C=O InChI=1S/C37H54O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-35(40)42-28-30-25-34(41-5)32-22-23-37(4,26-31(39)24-29(2)3)43-36(32)33(30)27-38/h10-11,13-14,24-25,27H,6-9,12,15-23,26,28H2,1-5H3/b11-10+,14-13+ WQODVCURNLADTH-IWCZYTNJSA-N belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Lineolic acids and derivatives Organic compounds Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives Aromatic heteropolycyclic compounds 1-benzopyrans Acryloyl compounds Alkyl aryl ethers Anisoles Aryl-aldehydes Carboxylic acid esters Enones Fatty acid esters Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds 1-benzopyran Acryloyl-group Aldehyde Alkyl aryl ether Alpha,beta-unsaturated ketone Anisole Aromatic heteropolycyclic compound Aryl-aldehyde Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromane Enone Ether Fatty acid ester Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Octadecanoid Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp 7.93 ALOGPS logs -7.08 ALOGPS solubility 4.92e-05 g/l ALOGPS logp 9.95 ChemAxon pka_strongest_acidic 19.15 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac [8-formyl-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-en-1-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]methyl (9E,12E)-octadeca-9,12-dienoate ChemAxon average_mass 594.8211 ChemAxon mono_mass 594.39203946 ChemAxon smiles CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC1=CC(OC)=C2CCC(C)(CC(=O)C=C(C)C)OC2=C1C=O ChemAxon formula C37H54O6 ChemAxon inchi InChI=1S/C37H54O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-35(40)42-28-30-25-34(41-5)32-22-23-37(4,26-31(39)24-29(2)3)43-36(32)33(30)27-38/h10-11,13-14,24-25,27H,6-9,12,15-23,26,28H2,1-5H3/b11-10+,14-13+ ChemAxon inchikey WQODVCURNLADTH-IWCZYTNJSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 178.57 ChemAxon polarizability 71.01 ChemAxon rotatable_bond_count 22 ChemAxon acceptor_count 5 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22189 Specdb::MsMs 94884 Specdb::MsMs 94885 Specdb::MsMs 94886 Specdb::MsMs 159015 Specdb::MsMs 159016 Specdb::MsMs 159017 Specdb::MsMs 2265063 Specdb::MsMs 2265064 Specdb::MsMs 2265065 Specdb::MsMs 3074457 Specdb::MsMs 3074458 Specdb::MsMs 3074459 HMDB39595 #<Reference:0x000055ce30518a48> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322