1.0 2010-04-08 22:11:24 UTC 2019-11-26 03:10:35 UTC FDB014672 Germacrone 4,5-epoxide Constituent of essential oil of Curcuma zedoaria (zedoary). Germacrone 4,5-epoxide is found in turmeric. (+)-Germacrone-4,5-epoxide (4S,5S)-(+)-Germacrone 4,5-epoxide Germacrone 4,5-epoxide C15H22O2 234.334 234.161979948 (6Z)-6,10-dimethyl-3-(propan-2-ylidene)-11-oxabicyclo[8.1.0]undec-6-en-4-one (6Z)-6,10-dimethyl-3-(propan-2-ylidene)-11-oxabicyclo[8.1.0]undec-6-en-4-one 92691-35-5 CC(C)=C1CC2OC2(C)CC\C=C(C)/CC1=O InChI=1S/C15H22O2/c1-10(2)12-9-14-15(4,17-14)7-5-6-11(3)8-13(12)16/h6,14H,5,7-9H2,1-4H3/b11-6- DWGVRYKQVZGSIB-WDZFZDKYSA-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 Aliphatic heteropolycyclic compounds Cyclic ketones Dialkyl ethers Epoxides Hydrocarbon derivatives Organic oxides Oxacyclic compounds Aliphatic heteropolycyclic compound Carbonyl group Cyclic ketone Dialkyl ether Ether Germacrane sesquiterpenoid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane logp 3.20 ALOGPS logs -3.14 ALOGPS solubility 1.72e-01 g/l ALOGPS melting_point Mp 59-60° logp 3.21 ChemAxon pka_strongest_acidic 16.87 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac (6Z)-6,10-dimethyl-3-(propan-2-ylidene)-11-oxabicyclo[8.1.0]undec-6-en-4-one ChemAxon average_mass 234.334 ChemAxon mono_mass 234.161979948 ChemAxon smiles CC(C)=C1CC2OC2(C)CC\C=C(C)/CC1=O ChemAxon formula C15H22O2 ChemAxon inchi InChI=1S/C15H22O2/c1-10(2)12-9-14-15(4,17-14)7-5-6-11(3)8-13(12)16/h6,14H,5,7-9H2,1-4H3/b11-6- ChemAxon inchikey DWGVRYKQVZGSIB-WDZFZDKYSA-N ChemAxon polar_surface_area 29.6 ChemAxon refractivity 70.54 ChemAxon polarizability 26.9 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26528 Specdb::CMs 135502 Specdb::CMs 143236 Specdb::MsMs 86130 Specdb::MsMs 86131 Specdb::MsMs 86132 Specdb::MsMs 148380 Specdb::MsMs 148381 Specdb::MsMs 148382 Specdb::MsMs 2763520 Specdb::MsMs 2763521 Specdb::MsMs 2763522 Specdb::MsMs 2942443 Specdb::MsMs 2942444 Specdb::MsMs 2942445 HMDB35889 #<Reference:0x00007f093c088508> Turmeric Type 1 specific Curcuma longa 136217