1.0 2010-04-08 22:05:34 UTC 2025-11-18 22:41:30 UTC FDB002885 Acorusdiol Constituent of Acorus calamus (sweet flag). Acorusdiol is found in herbs and spices and root vegetables. Acorusdiol C15H24O3 252.3493 252.172544634 5,7-dihydroxy-4a,8-dimethyl-2-(propan-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-one 5,7-dihydroxy-2-isopropyl-4a,8-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-one 185307-44-2 CC(C)C1CCC2(C)C(O)CC(O)C(C)=C2C1=O InChI=1S/C15H24O3/c1-8(2)10-5-6-15(4)12(17)7-11(16)9(3)13(15)14(10)18/h8,10-12,16-17H,5-7H2,1-4H3 XMGSOQRMWQXOKH-UHFFFAOYSA-N belongs to the class of organic compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. These are sesquiterpenoids with a structure based on the eudesmane skeleton. Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Hydrocarbon derivatives Ketones Organic oxides Secondary alcohols Alcohol Aliphatic homopolycyclic compound Carbonyl group Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol logp 1.50 ALOGPS logs -2.00 ALOGPS solubility 2.51e+00 g/l ALOGPS logp 1.88 ChemAxon pka_strongest_acidic 14.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5,7-dihydroxy-4a,8-dimethyl-2-(propan-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-one ChemAxon average_mass 252.3493 ChemAxon mono_mass 252.172544634 ChemAxon smiles CC(C)C1CCC2(C)C(O)CC(O)C(C)=C2C1=O ChemAxon formula C15H24O3 ChemAxon inchi InChI=1S/C15H24O3/c1-8(2)10-5-6-15(4)12(17)7-11(16)9(3)13(15)14(10)18/h8,10-12,16-17H,5-7H2,1-4H3 ChemAxon inchikey XMGSOQRMWQXOKH-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 71.11 ChemAxon polarizability 28.65 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17291 Specdb::CMs 42253 Specdb::CMs 156149 Specdb::MsMs 100758 Specdb::MsMs 100759 Specdb::MsMs 100760 Specdb::MsMs 166194 Specdb::MsMs 166195 Specdb::MsMs 166196 Specdb::MsMs 2266707 Specdb::MsMs 2266708 Specdb::MsMs 2266709 Specdb::MsMs 3075660 Specdb::MsMs 3075661 Specdb::MsMs 3075662 HMDB30919 #<Reference:0x000055ce316cd7e8> Herbs and Spices Unknown generic Root vegetables Unknown generic