1.0 2010-04-08 22:14:44 UTC 2019-11-26 03:18:18 UTC FDB020012 Erinacine A Metabolite of Hericium erinaceum (lions mane). Erinacine A is found in mushrooms. Erinacine A C25H36O6 432.5497 432.251188884 3a,5a-dimethyl-1-(propan-2-yl)-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2H,3H,3aH,4H,5H,5aH,6H,7H-cyclohepta[e]indene-8-carbaldehyde 1-isopropyl-3a,5a-dimethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2H,3H,4H,5H,6H,7H-cyclohepta[e]indene-8-carbaldehyde CC(C)C1=C2C3=CC=C(CC(OC4OCC(O)C(O)C4O)C3(C)CCC2(C)CC1)C=O InChI=1S/C25H36O6/c1-14(2)16-7-8-24(3)9-10-25(4)17(20(16)24)6-5-15(12-26)11-19(25)31-23-22(29)21(28)18(27)13-30-23/h5-6,12,14,18-19,21-23,27-29H,7-11,13H2,1-4H3 LPPCHLAEVDUIIW-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 Acetals Aldehydes Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Secondary alcohols Acetal Alcohol Aldehyde Aliphatic heteropolycyclic compound Carbonyl group Diterpenoid Glycosyl compound Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Secondary alcohol logp 2.98 ALOGPS logs -3.88 ALOGPS solubility 5.66e-02 g/l ALOGPS melting_point Mp 74-76° logp 1.97 ChemAxon pka_strongest_acidic 12.25 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 3a,5a-dimethyl-1-(propan-2-yl)-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2H,3H,3aH,4H,5H,5aH,6H,7H-cyclohepta[e]indene-8-carbaldehyde ChemAxon average_mass 432.5497 ChemAxon mono_mass 432.251188884 ChemAxon smiles CC(C)C1=C2C3=CC=C(CC(OC4OCC(O)C(O)C4O)C3(C)CCC2(C)CC1)C=O ChemAxon formula C25H36O6 ChemAxon inchi InChI=1S/C25H36O6/c1-14(2)16-7-8-24(3)9-10-25(4)17(20(16)24)6-5-15(12-26)11-19(25)31-23-22(29)21(28)18(27)13-30-23/h5-6,12,14,18-19,21-23,27-29H,7-11,13H2,1-4H3 ChemAxon inchikey LPPCHLAEVDUIIW-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 118.84 ChemAxon polarizability 48.1 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9966 Specdb::CMs 46721 Specdb::CMs 157208 Specdb::MsMs 288049 Specdb::MsMs 288050 Specdb::MsMs 288051 Specdb::MsMs 327043 Specdb::MsMs 327044 Specdb::MsMs 327045 Specdb::MsMs 2801254 Specdb::MsMs 2801255 Specdb::MsMs 2801256 Specdb::MsMs 2877317 Specdb::MsMs 2877318 Specdb::MsMs 2877319 HMDB40291 #<Reference:0x000055ce31e7c340> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322