1.0 2010-04-08 22:10:49 UTC 2019-11-26 03:08:44 UTC FDB013625 Acolamone Constituent of Acorus calamus (sweet flag). Acolamone is found in herbs and spices and root vegetables. [2S-(2alpha,4aalpha,8abeta)]-Octahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1(2H)-naphthalenone 4(15)-Eudesmen-6-one 4(15)-Selinen-6-one Acolamone C15H24O 220.3505 220.18271539 (2S,4aR,8aS)-4a-methyl-8-methylidene-2-(propan-2-yl)-decahydronaphthalen-1-one (2S,4aR,8aS)-2-isopropyl-4a-methyl-8-methylidene-hexahydro-2H-naphthalen-1-one 39012-14-1 [H][C@]12C(=C)CCC[C@]1(C)CC[C@@H](C(C)C)C2=O InChI=1S/C15H24O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h10,12-13H,3,5-9H2,1-2,4H3/t12-,13+,15+/m0/s1 TYQALBNCJWAILN-GZBFAFLISA-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 Aliphatic homopolycyclic compound Carbonyl group Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound logp 3.62 ALOGPS logs -4.39 ALOGPS solubility 8.90e-03 g/l ALOGPS logp 4.26 ChemAxon pka_strongest_acidic 18.45 ChemAxon pka_strongest_basic -7.6 ChemAxon iupac (2S,4aR,8aS)-4a-methyl-8-methylidene-2-(propan-2-yl)-decahydronaphthalen-1-one ChemAxon average_mass 220.3505 ChemAxon mono_mass 220.18271539 ChemAxon smiles [H][C@]12C(=C)CCC[C@]1(C)CC[C@@H](C(C)C)C2=O ChemAxon formula C15H24O ChemAxon inchi InChI=1S/C15H24O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h10,12-13H,3,5-9H2,1-2,4H3/t12-,13+,15+/m0/s1 ChemAxon inchikey TYQALBNCJWAILN-GZBFAFLISA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 67.3 ChemAxon polarizability 26.89 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20462 Specdb::CMs 154328 Specdb::MsMs 52116 Specdb::MsMs 52117 Specdb::MsMs 52118 Specdb::MsMs 113475 Specdb::MsMs 113476 Specdb::MsMs 113477 Specdb::MsMs 2770586 Specdb::MsMs 2770587 Specdb::MsMs 2770588 Specdb::MsMs 2908896 Specdb::MsMs 2908897 Specdb::MsMs 2908898 HMDB35020 #<Reference:0x000055ce31719940> Herbs and Spices Unknown generic Root vegetables Unknown generic