1.0 2010-04-08 22:08:09 UTC 2019-11-26 03:02:50 UTC FDB008581 Erinacine D Metabolite of Hericium erinaceum (lion's mane). Erinacine D is found in mushrooms. Erinacine D C27H42O7 478.6182 478.293053698 9-ethoxy-3a,5a-dimethyl-1-(propan-2-yl)-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2H,3H,3aH,4H,5H,5aH,6H,9H,10H,10aH-cyclohepta[e]indene-8-carbaldehyde 9-ethoxy-1-isopropyl-3a,5a-dimethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2H,3H,4H,5H,6H,9H,10H,10aH-cyclohepta[e]indene-8-carbaldehyde 157397-40-5 CCOC1CC2C3=C(CCC3(C)CCC2(C)C(OC2OCC(O)C(O)C2O)C=C1C=O)C(C)C InChI=1S/C27H42O7/c1-6-32-20-12-18-22-17(15(2)3)7-8-26(22,4)9-10-27(18,5)21(11-16(20)13-28)34-25-24(31)23(30)19(29)14-33-25/h11,13,15,18-21,23-25,29-31H,6-10,12,14H2,1-5H3 ZQHNREXELVXBCG-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 Dialkyl ethers Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Secondary alcohols Acetal Alcohol Aldehyde Aliphatic heteropolycyclic compound Carbonyl group Dialkyl ether Diterpenoid Ether Glycosyl compound Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Secondary alcohol logp 2.50 ALOGPS logs -3.79 ALOGPS solubility 7.84e-02 g/l ALOGPS melting_point Mp 121-123° logp 2.3 ChemAxon pka_strongest_acidic 12.25 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 9-ethoxy-3a,5a-dimethyl-1-(propan-2-yl)-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2H,3H,3aH,4H,5H,5aH,6H,9H,10H,10aH-cyclohepta[e]indene-8-carbaldehyde ChemAxon average_mass 478.6182 ChemAxon mono_mass 478.293053698 ChemAxon smiles CCOC1CC2C3=C(CCC3(C)CCC2(C)C(OC2OCC(O)C(O)C2O)C=C1C=O)C(C)C ChemAxon formula C27H42O7 ChemAxon inchi InChI=1S/C27H42O7/c1-6-32-20-12-18-22-17(15(2)3)7-8-26(22,4)9-10-27(18,5)21(11-16(20)13-28)34-25-24(31)23(30)19(29)14-33-25/h11,13,15,18-21,23-25,29-31H,6-10,12,14H2,1-5H3 ChemAxon inchikey ZQHNREXELVXBCG-UHFFFAOYSA-N ChemAxon polar_surface_area 105.45 ChemAxon refractivity 128.85 ChemAxon polarizability 53.13 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26499 Specdb::CMs 42651 Specdb::CMs 130815 Specdb::CMs 138549 Specdb::MsMs 53835 Specdb::MsMs 53836 Specdb::MsMs 53837 Specdb::MsMs 148983 Specdb::MsMs 148984 Specdb::MsMs 148985 Specdb::MsMs 2430949 Specdb::MsMs 2430950 Specdb::MsMs 2430951 Specdb::MsMs 2507503 Specdb::MsMs 2507504 Specdb::MsMs 2507505 HMDB31896 #<Reference:0x000055ce31c6cb18> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322