1.0 2010-04-08 22:13:51 UTC 2019-11-26 03:16:27 UTC FDB018660 Hericenone E From the edible lion's mane mushroom (Hericium erinaceum). Hericenone E is found in mushrooms. 4-(3',7'-Dimethyl-5'-oxo-2',6'-octadienyl)-2-formyl-3-hydroxy-5-methoxybenzyl-linoleate Hericenone E C37H54O6 594.8211 594.39203946 {4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl (9E,12E)-octadeca-9,12-dienoate {4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl (9E,12E)-octadeca-9,12-dienoate 137592-05-3 CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC1=CC(OC)=C(C\C=C(/C)CC(=O)C=C(C)C)C(O)=C1C=O InChI=1S/C37H54O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-36(40)43-28-31-26-35(42-5)33(37(41)34(31)27-38)23-22-30(4)25-32(39)24-29(2)3/h10-11,13-14,22,24,26-27,41H,6-9,12,15-21,23,25,28H2,1-5H3/b11-10+,14-13+,30-22+ SUAXEWQRYKSWIW-JWUQTBJASA-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 homomonocyclic compounds 1-hydroxy-4-unsubstituted benzenoids Acryloyl compounds Alkyl aryl ethers Anisoles Aromatic monoterpenoids Benzoyl derivatives Benzyloxycarbonyls Carboxylic acid esters Enones Fatty acid esters Hydrocarbon derivatives Hydroxybenzaldehydes Ketones Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Phenoxy compounds Vinylogous acids 1-hydroxy-4-unsubstituted benzenoid Acryloyl-group Aldehyde Alkyl aryl ether Alpha,beta-unsaturated ketone Anisole Aromatic homomonocyclic compound Aromatic monoterpenoid Aryl-aldehyde Benzaldehyde Benzenoid Benzoyl Benzyloxycarbonyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enone Ether Fatty acid ester Hydrocarbon derivative Hydroxybenzaldehyde Ketone Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Monocyclic monoterpenoid Monoterpenoid Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Vinylogous acid logp 8.14 ALOGPS logs -6.57 ALOGPS solubility 1.61e-04 g/l ALOGPS logp 10.76 ChemAxon pka_strongest_acidic 8 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac {4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}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)=C(C\C=C(/C)CC(=O)C=C(C)C)C(O)=C1C=O ChemAxon formula C37H54O6 ChemAxon inchi InChI=1S/C37H54O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-36(40)43-28-31-26-35(42-5)33(37(41)34(31)27-38)23-22-30(4)25-32(39)24-29(2)3/h10-11,13-14,22,24,26-27,41H,6-9,12,15-21,23,25,28H2,1-5H3/b11-10+,14-13+,30-22+ ChemAxon inchikey SUAXEWQRYKSWIW-JWUQTBJASA-N ChemAxon polar_surface_area 89.9 ChemAxon refractivity 181.59 ChemAxon polarizability 70.71 ChemAxon rotatable_bond_count 24 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 84834 Specdb::MsMs 84835 Specdb::MsMs 84836 Specdb::MsMs 146790 Specdb::MsMs 146791 Specdb::MsMs 146792 Specdb::MsMs 2364337 Specdb::MsMs 2364338 Specdb::MsMs 2364339 Specdb::MsMs 2602058 Specdb::MsMs 2602059 Specdb::MsMs 2602060 Specdb::CMs 25517 Specdb::CMs 46283 Specdb::CMs 283010 Specdb::CMs 444145 Specdb::CMs 444146 Specdb::CMs 444147 HMDB39140 #<Reference:0x000055ce33522388> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322