1.0 2010-04-08 22:11:52 UTC 2019-11-26 03:11:40 UTC FDB015486 Cyperotundone Constituent of Cyperus rotundus (nutgrass). Cyperotundone is found in root vegetables. Articulone Cyperenone Cyperotundone Isopatchoulenone C15H22O 218.3346 218.167065326 (1R,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.0^{1,5}]undec-4-en-3-one (1R,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.0^{1,5}]undec-4-en-3-one 3466-15-7 C[C@@H]1CC[C@@H]2CC3=C(C)C(=O)C[C@]13C2(C)C InChI=1S/C15H22O/c1-9-5-6-11-7-12-10(2)13(16)8-15(9,12)14(11,3)4/h9,11H,5-8H2,1-4H3/t9-,11-,15+/m1/s1 GIGKXOAUYMWORB-OSQNNJELSA-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 Cyclic ketones Hydrocarbon derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Cyclic ketone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Patchoulane sesquiterpenoid Sesquiterpenoid logp 3.93 ALOGPS logs -3.48 ALOGPS solubility 7.30e-02 g/l ALOGPS melting_point Mp 46-47.5° logp 3.39 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac (1R,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.0^{1,5}]undec-4-en-3-one ChemAxon average_mass 218.3346 ChemAxon mono_mass 218.167065326 ChemAxon smiles C[C@@H]1CC[C@@H]2CC3=C(C)C(=O)C[C@]13C2(C)C ChemAxon formula C15H22O ChemAxon inchi InChI=1S/C15H22O/c1-9-5-6-11-7-12-10(2)13(16)8-15(9,12)14(11,3)4/h9,11H,5-8H2,1-4H3/t9-,11-,15+/m1/s1 ChemAxon inchikey GIGKXOAUYMWORB-OSQNNJELSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 66.12 ChemAxon polarizability 25.73 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon HMDB36578 #<Reference:0x000055ce32da6348> Root vegetables Unknown generic