1.0 2010-04-08 22:13:22 UTC 2019-11-26 03:15:23 UTC FDB017891 Bisacumol Constituent of Curcuma xanthorrhiza (Java turmeric). Bisacumol is found in many foods, some of which are herbs and spices, beverages, root vegetables, and turmeric. (+)-Bisacumol Bisacumol C15H22O 218.3346 218.167065326 2-methyl-6-(4-methylphenyl)hept-2-en-4-ol 2-methyl-6-(4-methylphenyl)hept-2-en-4-ol 120710-98-7 CC(CC(O)C=C(C)C)C1=CC=C(C)C=C1 InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13,15-16H,10H2,1-4H3 NRBFEAZFHRHFFQ-UHFFFAOYSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aromatic homomonocyclic compounds Aromatic monoterpenoids Hydrocarbon derivatives Secondary alcohols Toluenes Alcohol Aromatic homomonocyclic compound Benzenoid Bisabolane sesquiterpenoid Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound P-cymene Secondary alcohol Sesquiterpenoid Toluene logp 3.90 ALOGPS logs -3.57 ALOGPS solubility 5.85e-02 g/l ALOGPS logp 4.16 ChemAxon pka_strongest_acidic 14.87 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 2-methyl-6-(4-methylphenyl)hept-2-en-4-ol ChemAxon average_mass 218.3346 ChemAxon mono_mass 218.167065326 ChemAxon smiles CC(CC(O)C=C(C)C)C1=CC=C(C)C=C1 ChemAxon formula C15H22O ChemAxon inchi InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13,15-16H,10H2,1-4H3 ChemAxon inchikey NRBFEAZFHRHFFQ-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 70.61 ChemAxon polarizability 26.62 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25088 Specdb::CMs 45877 Specdb::CMs 137623 Specdb::CMs 145357 Specdb::MsMs 98457 Specdb::MsMs 98458 Specdb::MsMs 98459 Specdb::MsMs 163380 Specdb::MsMs 163381 Specdb::MsMs 163382 Specdb::MsMs 2784400 Specdb::MsMs 2784401 Specdb::MsMs 2784402 Specdb::MsMs 2921053 Specdb::MsMs 2921054 Specdb::MsMs 2921055 HMDB38511 #<Reference:0x000055ce32f27f28> Beverages Unknown generic Herbs and Spices Unknown generic Root vegetables Unknown generic Turmeric Type 1 specific Curcuma longa 136217