1.0 2010-04-08 22:12:00 UTC 2018-05-29 01:21:08 UTC FDB015710 Isofuranodienone Constituent of Curcuma zedoaria (zedoary) Isofuranodienone C15H18O2 230.3022 230.13067982 3,6,10-trimethyl-4H,7H,8H,11H-cyclodeca[b]furan-4-one 3,6,10-trimethyl-7H,8H,11H-cyclodeca[b]furan-4-one 24268-41-5 CC1=COC2=C1C(=O)\C=C(C)/CC\C=C(C)\C2 InChI=1S/C15H18O2/c1-10-5-4-6-11(2)8-14-15(13(16)7-10)12(3)9-17-14/h6-7,9H,4-5,8H2,1-3H3/b10-7-,11-6+ XVOHELPNOXGRBQ-IKVLVDHLSA-N belongs to the class of organic compounds known as germacrane sesquiterpenoids. These are sesquiterpenoids having the germacrane skeleton, with a structure characterized by a cyclodecane ring substituted with an isopropyl and two methyl groups. Germacrane sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aromatic heteropolycyclic compounds Aryl ketones Furans Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Aromatic heteropolycyclic compound Aryl ketone Furan Germacrane sesquiterpenoid Heteroaromatic compound Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp 3.30 ALOGPS logs -3.66 ALOGPS solubility 5.03e-02 g/l ALOGPS melting_point Mp 70-71° logp 3.6 ChemAxon pka_strongest_acidic 16.47 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 3,6,10-trimethyl-4H,7H,8H,11H-cyclodeca[b]furan-4-one ChemAxon average_mass 230.3022 ChemAxon mono_mass 230.13067982 ChemAxon smiles CC1=COC2=C1C(=O)\C=C(C)/CC\C=C(C)\C2 ChemAxon formula C15H18O2 ChemAxon inchi InChI=1S/C15H18O2/c1-10-5-4-6-11(2)8-14-15(13(16)7-10)12(3)9-17-14/h6-7,9H,4-5,8H2,1-3H3/b10-7-,11-6+ ChemAxon inchikey XVOHELPNOXGRBQ-IKVLVDHLSA-N ChemAxon polar_surface_area 30.21 ChemAxon refractivity 71.09 ChemAxon polarizability 25.84 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18427 Specdb::CMs 166557 Specdb::MsMs 85617 Specdb::MsMs 85618 Specdb::MsMs 85619 Specdb::MsMs 147750 Specdb::MsMs 147751 Specdb::MsMs 147752 Specdb::MsMs 2448308 Specdb::MsMs 2448309 Specdb::MsMs 2448310 Specdb::MsMs 2518119 Specdb::MsMs 2518120 Specdb::MsMs 2518121 HMDB36768 #<Reference:0x000055ce32558178>