1.0 2010-04-08 22:09:58 UTC 2018-05-28 23:33:42 UTC FDB012071 (S)-Curzeone Constituent of Curcuma zedoaria (zedoary). C15H16O2 228.2863 228.115029756 1,5,8-trimethyl-6H,7H,8H,9H-naphtho[2,1-b]furan-9-one 1,5,8-trimethyl-6H,7H,8H-naphtho[2,1-b]furan-9-one CC1CCC2=C(C3=C(OC=C3C)C=C2C)C1=O InChI=1S/C15H16O2/c1-8-4-5-11-9(2)6-12-13(10(3)7-17-12)14(11)15(8)16/h6-8H,4-5H2,1-3H3 YBJIFGYQRRWWFW-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 heteropolycyclic compounds Aryl alkyl ketones Benzofurans Furans Heteroaromatic compounds Hydrocarbon derivatives Naphthofurans Organic oxides Oxacyclic compounds Tetralins Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzofuran Cadinane sesquiterpenoid Furan Heteroaromatic compound Hydrocarbon derivative Ketone Naphthofuran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Sesquiterpenoid Tetralin logp 3.81 ALOGPS logs -3.96 ALOGPS solubility 2.53e-02 g/l ALOGPS melting_point Mp 72-74° (66-67°) logp 4.01 ChemAxon pka_strongest_acidic 16.82 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 1,5,8-trimethyl-6H,7H,8H,9H-naphtho[2,1-b]furan-9-one ChemAxon average_mass 228.2863 ChemAxon mono_mass 228.115029756 ChemAxon smiles CC1CCC2=C(C3=C(OC=C3C)C=C2C)C1=O ChemAxon formula C15H16O2 ChemAxon inchi InChI=1S/C15H16O2/c1-8-4-5-11-9(2)6-12-13(10(3)7-17-12)14(11)15(8)16/h6-8H,4-5H2,1-3H3 ChemAxon inchikey YBJIFGYQRRWWFW-UHFFFAOYSA-N ChemAxon polar_surface_area 30.21 ChemAxon refractivity 67.82 ChemAxon polarizability 25.86 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 48576 Specdb::MsMs 48577 Specdb::MsMs 48578 Specdb::MsMs 130953 Specdb::MsMs 130954 Specdb::MsMs 130955 Specdb::MsMs 2674351 Specdb::MsMs 2674352 Specdb::MsMs 2674353 Specdb::MsMs 3034439 Specdb::MsMs 3034440 Specdb::MsMs 3034441 Specdb::CMs 23182 Specdb::CMs 134227 Specdb::CMs 141961 HMDB33878 #<Reference:0x000055ce33535528>