1.0 2010-04-08 22:13:33 UTC 2019-11-26 03:15:49 UTC FDB018177 Herierin III Constituent of Hericium erinaceum (lions mane). Herierin III is found in mushrooms. 3,6-Bis(hydroxymethyl)-2-methyl-4H-pyran-4-one 4H-Pyran-4-one, 3,6-bis(hydroxymethyl)-2-methyl- 6-Methyl-2,5-dihydroxymethyl-gamma pyranone 6-Methyl-2,5-dihydroxymethyl-gamma-pyranone III Herierin III C8H10O4 170.1626 170.057908808 3,6-bis(hydroxymethyl)-2-methyl-4H-pyran-4-one 3,6-bis(hydroxymethyl)-2-methylpyran-4-one 131123-56-3 CC1=C(CO)C(=O)C=C(CO)O1 InChI=1S/C8H10O4/c1-5-7(4-10)8(11)2-6(3-9)12-5/h2,9-10H,3-4H2,1H3 FEEAMUNPZANTSE-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 Alcohol Aromatic alcohol Aromatic heteromonocyclic compound Cyclic ketone Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Primary alcohol Pyranone logp -0.61 ALOGPS logs -1.04 ALOGPS solubility 1.55e+01 g/l ALOGPS melting_point Mp 122-123° logp -0.94 ChemAxon pka_strongest_acidic 14.24 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 3,6-bis(hydroxymethyl)-2-methyl-4H-pyran-4-one ChemAxon average_mass 170.1626 ChemAxon mono_mass 170.057908808 ChemAxon smiles CC1=C(CO)C(=O)C=C(CO)O1 ChemAxon formula C8H10O4 ChemAxon inchi InChI=1S/C8H10O4/c1-5-7(4-10)8(11)2-6(3-9)12-5/h2,9-10H,3-4H2,1H3 ChemAxon inchikey FEEAMUNPZANTSE-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 45.25 ChemAxon polarizability 16.78 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23893 Specdb::CMs 46039 Specdb::CMs 130976 Specdb::CMs 138710 Specdb::MsIr 8021 Specdb::MsIr 8022 Specdb::MsIr 8023 Specdb::NmrOneD 29102 Specdb::NmrOneD 29103 Specdb::NmrOneD 29104 Specdb::NmrOneD 29105 Specdb::NmrOneD 29106 Specdb::NmrOneD 29107 Specdb::NmrOneD 29108 Specdb::NmrOneD 29109 Specdb::NmrOneD 29110 Specdb::NmrOneD 29111 Specdb::NmrOneD 29112 Specdb::NmrOneD 29113 Specdb::NmrOneD 29114 Specdb::NmrOneD 29115 Specdb::NmrOneD 29116 Specdb::NmrOneD 29117 Specdb::NmrOneD 29118 Specdb::NmrOneD 29119 Specdb::NmrOneD 29120 Specdb::NmrOneD 29121 Specdb::MsMs 10706 Specdb::MsMs 10707 Specdb::MsMs 10708 Specdb::MsMs 17378 Specdb::MsMs 17379 Specdb::MsMs 17380 Specdb::MsMs 2365399 Specdb::MsMs 2365400 Specdb::MsMs 2365401 Specdb::MsMs 2596411 Specdb::MsMs 2596412 Specdb::MsMs 2596413 HMDB38760 #<Reference:0x00007f093c102b28> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322