1.0 2010-04-08 22:11:47 UTC 2018-05-29 01:18:17 UTC FDB015343 Pyrocurzerenone Constituent of the rhizomes of Curcuma zedoaria (zedoary) 6,7-Dihydro-1,5,8-trimethylnaphtho[2,1-b]-furan, 9CI C15H16O 212.2869 212.120115134 1,5,8-trimethyl-6H,7H-naphtho[2,1-b]furan 1,5,8-trimethyl-6H,7H-naphtho[2,1-b]furan 20013-75-6 CC1=COC2=C1C1=C(CCC(C)=C1)C(C)=C2 InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h6-8H,4-5H2,1-3H3 JSWOSPDHAFLJHZ-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 Benzofurans Furans Heteroaromatic compounds Hydrocarbon derivatives Naphthalenes Naphthofurans Organooxygen compounds Oxacyclic compounds Aromatic heteropolycyclic compound Benzenoid Benzofuran Cadinane sesquiterpenoid Furan Heteroaromatic compound Hydrocarbon derivative Naphthalene Naphthofuran Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Sesquiterpenoid logp 4.60 ALOGPS logs -4.17 ALOGPS solubility 1.44e-02 g/l ALOGPS melting_point Mp 76.5-77.5° logp 4.58 ChemAxon pka_strongest_basic -2.3 ChemAxon iupac 1,5,8-trimethyl-6H,7H-naphtho[2,1-b]furan ChemAxon average_mass 212.2869 ChemAxon mono_mass 212.120115134 ChemAxon smiles CC1=COC2=C1C1=C(CCC(C)=C1)C(C)=C2 ChemAxon formula C15H16O ChemAxon inchi InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h6-8H,4-5H2,1-3H3 ChemAxon inchikey JSWOSPDHAFLJHZ-UHFFFAOYSA-N ChemAxon polar_surface_area 13.14 ChemAxon refractivity 67.86 ChemAxon polarizability 25.2 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15504 Specdb::CMs 161130 Specdb::MsMs 81099 Specdb::MsMs 81100 Specdb::MsMs 81101 Specdb::MsMs 142131 Specdb::MsMs 142132 Specdb::MsMs 142133 Specdb::MsMs 2436247 Specdb::MsMs 2436248 Specdb::MsMs 2436249 Specdb::MsMs 2526411 Specdb::MsMs 2526412 Specdb::MsMs 2526413 HMDB36454 #<Reference:0x000055ce31eaf650>