1.02010-04-08 22:09:28 UTC2019-11-26 03:04:33 UTCFDB011100CalamensesquiterpinenolConstituent of the roots of Acorus calamus (sweet flag). Calamensesquiterpinenol is found in herbs and spices and root vegetables.10-Hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-oneCalamenoneC15H24O2236.3499236.17763001210-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.0¹,⁵]undecan-7-one10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.0¹,⁵]undecan-7-one156158-90-6CC1CCC2C11CC(C)(CC1O)C(=O)C2(C)CInChI=1S/C15H24O2/c1-9-5-6-10-13(2,3)12(17)14(4)7-11(16)15(9,10)8-14/h9-11,16H,5-8H2,1-4H3DDUWSZBURGHFEW-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.Cyclic alcohols and derivativesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsAlcohols and polyolsAliphatic homopolycyclic compoundsHydrocarbon derivativesKetonesOrganic oxidesSecondary alcoholsAliphatic homopolycyclic compoundCarbonyl groupCyclic alcoholHydrocarbon derivativeKetoneOrganic oxideSecondary alcohollogp2.65logs-3.33solubility1.12e-01 g/llogp3.13pka_strongest_acidic14.65pka_strongest_basic-3iupac10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.0¹,⁵]undecan-7-oneaverage_mass236.3499mono_mass236.177630012smilesCC1CCC2C11CC(C)(CC1O)C(=O)C2(C)CformulaC15H24O2inchiInChI=1S/C15H24O2/c1-9-5-6-10-13(2,3)12(17)14(4)7-11(16)15(9,10)8-14/h9-11,16H,5-8H2,1-4H3inchikeyDDUWSZBURGHFEW-UHFFFAOYSA-Npolar_surface_area37.3refractivity67.03polarizability27.23rotatable_bond_count0acceptor_count2donor_count1physiological_charge0formal_charge0Specdb::CMs14977Specdb::CMs43100Specdb::CMs167164Specdb::MsMs90339Specdb::MsMs90340Specdb::MsMs90341Specdb::MsMs153474Specdb::MsMs153475Specdb::MsMs153476Specdb::MsMs2271444Specdb::MsMs2271445Specdb::MsMs2271446Specdb::MsMs3067214Specdb::MsMs3067215Specdb::MsMs3067216HMDB33104#<Reference:0x00005556751bfe10>Herbs and SpicesUnknowngenericRoot vegetablesUnknowngeneric