1.0 2010-04-08 22:13:33 UTC 2019-11-26 03:15:49 UTC FDB018178 Herierin IV Constituent of Hericium erinaceum (lions mane). Herierin IV is found in mushrooms. 2-Hydroxymethyl-5-alpha-hydroxyethyl-gamma-pyranone 4H-Pyran-4-one, 5-(1-hydroxyethyl)-2-(hydroxymethyl)-, (-)- 5-(1-Hydroxyethyl)-2-(hydroxymethyl)-(-)-4H-pyran-4-one Herierin IV C8H10O4 170.1626 170.057908808 5-(1-hydroxyethyl)-2-(hydroxymethyl)-4H-pyran-4-one 5-(1-hydroxyethyl)-2-(hydroxymethyl)pyran-4-one 131123-57-4 CC(O)C1=COC(CO)=CC1=O InChI=1S/C8H10O4/c1-5(10)7-4-12-6(3-9)2-8(7)11/h2,4-5,9-10H,3H2,1H3 QWSHNEPQDNJHHB-UHFFFAOYSA-N belongs to the class of organic compounds known as pyranones and derivatives. Pyranones and derivatives are compounds containing a pyran ring which bears a ketone. Pyranones and derivatives Organic compounds Organoheterocyclic compounds Pyrans Pyranones and derivatives Aromatic heteromonocyclic compounds Aromatic alcohols Cyclic ketones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Primary alcohols Secondary alcohols Alcohol Aromatic alcohol Aromatic heteromonocyclic compound Cyclic ketone Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Primary alcohol Pyranone Secondary alcohol logp -0.46 ALOGPS logs -0.71 ALOGPS solubility 3.34e+01 g/l ALOGPS logp -0.72 ChemAxon pka_strongest_acidic 14.18 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-(1-hydroxyethyl)-2-(hydroxymethyl)-4H-pyran-4-one ChemAxon average_mass 170.1626 ChemAxon mono_mass 170.057908808 ChemAxon smiles CC(O)C1=COC(CO)=CC1=O ChemAxon formula C8H10O4 ChemAxon inchi InChI=1S/C8H10O4/c1-5(10)7-4-12-6(3-9)2-8(7)11/h2,4-5,9-10H,3H2,1H3 ChemAxon inchikey QWSHNEPQDNJHHB-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 43.85 ChemAxon polarizability 16.56 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15890 Specdb::CMs 46040 Specdb::CMs 131919 Specdb::CMs 139653 Specdb::MsIr 8024 Specdb::MsIr 8025 Specdb::MsIr 8026 Specdb::MsMs 58287 Specdb::MsMs 58288 Specdb::MsMs 58289 Specdb::MsMs 114186 Specdb::MsMs 114187 Specdb::MsMs 114188 Specdb::MsMs 2830918 Specdb::MsMs 2830919 Specdb::MsMs 2830920 Specdb::MsMs 2848625 Specdb::MsMs 2848626 Specdb::MsMs 2848627 Specdb::NmrOneD 29122 Specdb::NmrOneD 29123 Specdb::NmrOneD 29124 Specdb::NmrOneD 29125 Specdb::NmrOneD 29126 Specdb::NmrOneD 29127 Specdb::NmrOneD 29128 Specdb::NmrOneD 29129 Specdb::NmrOneD 29130 Specdb::NmrOneD 29131 Specdb::NmrOneD 29132 Specdb::NmrOneD 29133 Specdb::NmrOneD 29134 Specdb::NmrOneD 29135 Specdb::NmrOneD 29136 Specdb::NmrOneD 29137 Specdb::NmrOneD 29138 Specdb::NmrOneD 29139 Specdb::NmrOneD 29140 Specdb::NmrOneD 29141 HMDB38761 #<Reference:0x000055ce31d40cd8> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322