1.0 2010-04-08 22:15:27 UTC 2019-11-26 03:19:51 UTC FDB021075 Hericene A From the edible lion's mane mushroom (Hericium erinaceum). Hericene A is found in mushrooms. Hericene A C35H56O5 556.8161 556.412774902 {4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl hexadecanoate {4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl hexadecanoate 157207-54-0 CCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C(C\C=C(/C)CCC=C(C)C)C(O)=C1C=O InChI=1S/C35H56O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34(37)40-27-30-25-33(39-5)31(35(38)32(30)26-36)24-23-29(4)21-19-20-28(2)3/h20,23,25-26,38H,6-19,21-22,24,27H2,1-5H3/b29-23+ PLUINHYLFTYIKB-BYNJWEBRSA-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 Alkyl aryl ethers Anisoles Benzoyl derivatives Benzyloxycarbonyls Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Hydroxybenzaldehydes Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Phenoxy compounds Vinylogous acids 1-hydroxy-4-unsubstituted benzenoid Aldehyde Alkyl aryl ether Anisole Aromatic homomonocyclic compound Aromatic monoterpenoid Aryl-aldehyde Benzaldehyde Benzenoid Benzoyl Benzyloxycarbonyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Ether Fatty acid ester Fatty acyl Hydrocarbon derivative Hydroxybenzaldehyde 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 9.02 ALOGPS logs -6.62 ALOGPS solubility 1.33e-04 g/l ALOGPS logp 11.42 ChemAxon pka_strongest_acidic 8 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac {4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl hexadecanoate ChemAxon average_mass 556.8161 ChemAxon mono_mass 556.412774902 ChemAxon smiles CCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C(C\C=C(/C)CCC=C(C)C)C(O)=C1C=O ChemAxon formula C35H56O5 ChemAxon inchi InChI=1S/C35H56O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34(37)40-27-30-25-33(39-5)31(35(38)32(30)26-36)24-23-29(4)21-19-20-28(2)3/h20,23,25-26,38H,6-19,21-22,24,27H2,1-5H3/b29-23+ ChemAxon inchikey PLUINHYLFTYIKB-BYNJWEBRSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 169.54 ChemAxon polarizability 69.78 ChemAxon rotatable_bond_count 24 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 287533 Specdb::MsMs 287534 Specdb::MsMs 287535 Specdb::MsMs 326404 Specdb::MsMs 326405 Specdb::MsMs 326406 Specdb::MsMs 2403821 Specdb::MsMs 2403822 Specdb::MsMs 2403823 Specdb::MsMs 2534343 Specdb::MsMs 2534344 Specdb::MsMs 2534345 Specdb::CMs 9747 Specdb::CMs 47160 Specdb::CMs 281942 Specdb::CMs 340789 HMDB41179 #<Reference:0x000055ce322b5998> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322