1.02011-09-26 22:56:15 UTC2015-07-21 07:01:02 UTCFDB0297705-hydroxycalameneneFlavouring compound [Flavornet]C15H22O218.34218.167065328(5R,8S)-3,8-dimethyl-5-(propan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol(+)-hydroxycalamenene95908-33-1[H][C@]1(C)CC[C@]([H])(C(C)C)C2=C1C(O)=CC(C)=C2InChI=1S/C15H22O/c1-9(2)12-6-5-11(4)15-13(12)7-10(3)8-14(15)16/h7-9,11-12,16H,5-6H2,1-4H3/t11-,12+/m0/s1FDMKIGKOMRSCAW-NWDGAFQWSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.SesquiterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsSesquiterpenoidsAromatic homopolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsHydrocarbon derivativesOrganooxygen compoundsTetralins1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidAromatic homopolycyclic compoundBenzenoidCadinane sesquiterpenoidHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundSesquiterpenoidTetralinCadinane sesquiterpenoidsCadinane sesquiterpenoidscarbobicyclic compoundsesquiterpenoidlogp4.82logs-3.91solubility2.67e-02 g/llogp4.94pka_strongest_acidic10.63pka_strongest_basic-5.2iupac(5R,8S)-3,8-dimethyl-5-(propan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-olaverage_mass218.34mono_mass218.167065328smiles[H][C@]1(C)CC[C@]([H])(C(C)C)C2=C1C(O)=CC(C)=C2formulaC15H22OinchiInChI=1S/C15H22O/c1-9(2)12-6-5-11(4)15-13(12)7-10(3)8-14(15)16/h7-9,11-12,16H,5-6H2,1-4H3/t11-,12+/m0/s1inchikeyFDMKIGKOMRSCAW-NWDGAFQWSA-Npolar_surface_area20.23refractivity68.81polarizability26.65rotatable_bond_count1acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::MsMs1226596Specdb::MsMs1226597Specdb::MsMs1226598Specdb::MsMs1342192Specdb::MsMs1342193Specdb::MsMs1342194Specdb::MsMs3607435Specdb::MsMs3607436Specdb::MsMs3607437Specdb::MsMs3608320Specdb::MsMs3608321Specdb::MsMs3608322herb