1.0 2010-04-08 22:15:27 UTC 2019-11-26 03:19:51 UTC FDB021077 Hericene C From the edible lion's mane mushroom (Hericium erinaceum). Hericene C is found in mushrooms. Hericene C Steric acid ester of 4(3',7'-dimethyl-2',6'-octadienyl)-2-formyl-3-hydroxyl-5-methoxylbenzyl alcohol C37H60O5 584.8693 584.44407503 {4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl octadecanoate {4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl octadecanoate 157207-56-2 CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C(C\C=C(/C)CCC=C(C)C)C(O)=C1C=O InChI=1S/C37H60O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h22,25,27-28,40H,6-21,23-24,26,29H2,1-5H3/b31-25+ MUPDKCFZUFURPT-QCKNELIISA-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 9.52 ALOGPS logs -6.83 ALOGPS solubility 8.65e-05 g/l ALOGPS logp 12.31 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 octadecanoate ChemAxon average_mass 584.8693 ChemAxon mono_mass 584.44407503 ChemAxon smiles CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C(C\C=C(/C)CCC=C(C)C)C(O)=C1C=O ChemAxon formula C37H60O5 ChemAxon inchi InChI=1S/C37H60O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h22,25,27-28,40H,6-21,23-24,26,29H2,1-5H3/b31-25+ ChemAxon inchikey MUPDKCFZUFURPT-QCKNELIISA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 178.74 ChemAxon polarizability 74.08 ChemAxon rotatable_bond_count 26 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24750 Specdb::CMs 47162 Specdb::CMs 282745 Specdb::CMs 407879 Specdb::MsMs 320791 Specdb::MsMs 320792 Specdb::MsMs 320793 Specdb::MsMs 368257 Specdb::MsMs 368258 Specdb::MsMs 368259 Specdb::MsMs 2406011 Specdb::MsMs 2406012 Specdb::MsMs 2406013 Specdb::MsMs 2529429 Specdb::MsMs 2529430 Specdb::MsMs 2529431 HMDB41181 #<Reference:0x000055ce3260c8d0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322