1.0 2010-04-08 22:13:51 UTC 2019-11-26 03:16:27 UTC FDB018659 Hericenone D From the edible lion's mane mushroom (Hericium erinaceum). Hericenone D is found in mushrooms. Bicyclo(3.2.0)hepta-2,6-diene bicyclo[3.2.0]hepta-2,6-diene Hericenone D C37H58O6 598.8528 598.423339588 {4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl octadecanoate {4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl octadecanoate 137592-04-2 CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C(C\C=C(/C)CC(=O)C=C(C)C)C(O)=C1C=O InChI=1S/C37H58O6/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/h22,24,26-27,41H,6-21,23,25,28H2,1-5H3/b30-22+ ZTJZNRQMSBGEOJ-JBASAIQMSA-N belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. Aromatic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aromatic homomonocyclic compounds 1-hydroxy-4-unsubstituted benzenoids Acryloyl compounds Alkyl aryl ethers Anisoles 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 Fatty acyl Hydrocarbon derivative Hydroxybenzaldehyde Ketone Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Vinylogous acid logp 8.50 ALOGPS logs -6.73 ALOGPS solubility 1.11e-04 g/l ALOGPS melting_point Mp 41-43° logp 11.49 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 octadecanoate ChemAxon average_mass 598.8528 ChemAxon mono_mass 598.423339588 ChemAxon smiles CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C(C\C=C(/C)CC(=O)C=C(C)C)C(O)=C1C=O ChemAxon formula C37H58O6 ChemAxon inchi InChI=1S/C37H58O6/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/h22,24,26-27,41H,6-21,23,25,28H2,1-5H3/b30-22+ ChemAxon inchikey ZTJZNRQMSBGEOJ-JBASAIQMSA-N ChemAxon polar_surface_area 89.9 ChemAxon refractivity 179.36 ChemAxon polarizability 73.99 ChemAxon rotatable_bond_count 26 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24525 Specdb::CMs 46282 Specdb::CMs 462576 Specdb::CMs 462577 Specdb::CMs 462578 Specdb::CMs 792070 Specdb::MsMs 100353 Specdb::MsMs 100354 Specdb::MsMs 100355 Specdb::MsMs 165651 Specdb::MsMs 165652 Specdb::MsMs 165653 Specdb::MsMs 2324638 Specdb::MsMs 2324639 Specdb::MsMs 2324640 Specdb::MsMs 2611403 Specdb::MsMs 2611404 Specdb::MsMs 2611405 HMDB39139 #<Reference:0x000055ce32a514b8> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322