1.0 2010-04-08 22:11:17 UTC 2019-11-26 03:10:08 UTC FDB014477 Patchoulenone Constituent of Cyperus rotundus (nutgrass). Patchoulenone is found in root vegetables. 4-Patchoulen-6-one 8-Oxocyperene Narucinone Patchoulenone C15H22O 218.3346 218.167065326 4,10,11,11-tetramethyltricyclo[5.3.1.0¹,⁵]undec-4-en-6-one 4,10,11,11-tetramethyltricyclo[5.3.1.0¹,⁵]undec-4-en-6-one 5986-54-9 CC1CCC2C(=O)C3=C(C)CCC13C2(C)C InChI=1S/C15H22O/c1-9-7-8-15-10(2)5-6-11(14(15,3)4)13(16)12(9)15/h10-11H,5-8H2,1-4H3 JAWSHISYWRRQQQ-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 Aliphatic homopolycyclic compounds Hydrocarbon derivatives Ketones Organic oxides Aliphatic homopolycyclic compound Carbonyl group Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Patchoulane sesquiterpenoid Sesquiterpenoid logp 3.84 ALOGPS logs -3.32 ALOGPS solubility 1.05e-01 g/l ALOGPS melting_point Mp 52.5° logp 3.65 ChemAxon pka_strongest_basic -5 ChemAxon iupac 4,10,11,11-tetramethyltricyclo[5.3.1.0¹,⁵]undec-4-en-6-one ChemAxon average_mass 218.3346 ChemAxon mono_mass 218.167065326 ChemAxon smiles CC1CCC2C(=O)C3=C(C)CCC13C2(C)C ChemAxon formula C15H22O ChemAxon inchi InChI=1S/C15H22O/c1-9-7-8-15-10(2)5-6-11(14(15,3)4)13(16)12(9)15/h10-11H,5-8H2,1-4H3 ChemAxon inchikey JAWSHISYWRRQQQ-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 66.15 ChemAxon polarizability 25.7 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19086 Specdb::CMs 167078 Specdb::MsMs 63561 Specdb::MsMs 63562 Specdb::MsMs 63563 Specdb::MsMs 120528 Specdb::MsMs 120529 Specdb::MsMs 120530 Specdb::MsMs 2728960 Specdb::MsMs 2728961 Specdb::MsMs 2728962 Specdb::MsMs 2979812 Specdb::MsMs 2979813 Specdb::MsMs 2979814 HMDB35747 #<Reference:0x000055ce32f928f0> Root vegetables Unknown generic