1.0 2010-04-08 22:14:48 UTC 2019-11-26 03:18:30 UTC FDB020121 Erinacine C Metabolite of Hericium erinaceum (lions mane). Erinacine C is found in mushrooms. Apadoline Apadoline [inn] C25H38O6 434.5656 434.266838948 13-(hydroxymethyl)-2,5-dimethyl-8-(propan-2-yl)-15,20,22-trioxapentacyclo[12.8.0.0²,¹⁰.0⁵,⁹.0¹⁶,²¹]docosa-8,12-diene-17,18-diol 13-(hydroxymethyl)-8-isopropyl-2,5-dimethyl-15,20,22-trioxapentacyclo[12.8.0.0²,¹⁰.0⁵,⁹.0¹⁶,²¹]docosa-8,12-diene-17,18-diol 156101-09-6 CC(C)C1=C2C3CC=C(CO)C4OC5C(O)C(O)COC5OC4C3(C)CCC2(C)CC1 InChI=1S/C25H38O6/c1-13(2)15-7-8-24(3)9-10-25(4)16(18(15)24)6-5-14(11-26)20-22(25)31-23-21(30-20)19(28)17(27)12-29-23/h5,13,16-17,19-23,26-28H,6-12H2,1-4H3 DMPGFSQMXITJPT-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic heteropolycyclic compounds 1,4-dioxanes Acetals Dialkyl ethers Hydrocarbon derivatives Monosaccharides Oxacyclic compounds Oxanes Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteropolycyclic compound Dialkyl ether Diterpenoid Ether Hydrocarbon derivative Monosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Para-dioxane Primary alcohol Secondary alcohol logp 2.50 ALOGPS logs -3.64 ALOGPS solubility 9.90e-02 g/l ALOGPS melting_point Mp 115-118° logp 2.31 ChemAxon pka_strongest_acidic 12.83 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 13-(hydroxymethyl)-2,5-dimethyl-8-(propan-2-yl)-15,20,22-trioxapentacyclo[12.8.0.0²,¹⁰.0⁵,⁹.0¹⁶,²¹]docosa-8,12-diene-17,18-diol ChemAxon average_mass 434.5656 ChemAxon mono_mass 434.266838948 ChemAxon smiles CC(C)C1=C2C3CC=C(CO)C4OC5C(O)C(O)COC5OC4C3(C)CCC2(C)CC1 ChemAxon formula C25H38O6 ChemAxon inchi InChI=1S/C25H38O6/c1-13(2)15-7-8-24(3)9-10-25(4)16(18(15)24)6-5-14(11-26)20-22(25)31-23-21(30-20)19(28)17(27)12-29-23/h5,13,16-17,19-23,26-28H,6-12H2,1-4H3 ChemAxon inchikey DMPGFSQMXITJPT-UHFFFAOYSA-N ChemAxon polar_surface_area 88.38 ChemAxon refractivity 116.67 ChemAxon polarizability 48.7 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11964 Specdb::CMs 46762 Specdb::CMs 156485 Specdb::MsMs 292342 Specdb::MsMs 292343 Specdb::MsMs 292344 Specdb::MsMs 332509 Specdb::MsMs 332510 Specdb::MsMs 332511 Specdb::MsMs 2264712 Specdb::MsMs 2264713 Specdb::MsMs 2264714 Specdb::MsMs 3073908 Specdb::MsMs 3073909 Specdb::MsMs 3073910 HMDB40389 #<Reference:0x000055ce307b5fa8> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322