1.0 2020-04-02 17:34:58 UTC 2025-11-19 03:07:40 UTC FDB097223 African-2(6)-ene C13H11NO5 261.2301 261.063722467 1a,4,6,6-tetramethyl-1H,1aH,2H,3H,4H,5H,6H,7H,7aH-cyclopropa[e]azulene 1a,4,6,6-tetramethyl-1H,2H,3H,4H,5H,7H,7aH-cyclopropa[e]azulene CCN1C=C(C(O)=O)C(=O)C2=CC3=C(OCO3)C=C12 InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17) KYGZCKSPAKDVKC-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 Aliphatic homopolycyclic compounds Cyclic olefins Polycyclic hydrocarbons Unsaturated aliphatic hydrocarbons Africanane sesquiterpenoid Aliphatic homopolycyclic compound Cyclic olefin Hydrocarbon Olefin Polycyclic hydrocarbon Sesquiterpenoid Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon logp 5.45 ALOGPS logs -4.21 ALOGPS solubility 1.26e-02 g/l ALOGPS logp 4.06 ChemAxon iupac 1a,4,6,6-tetramethyl-1H,1aH,2H,3H,4H,5H,6H,7H,7aH-cyclopropa[e]azulene ChemAxon average_mass 261.2301 ChemAxon mono_mass 261.063722467 ChemAxon smiles CCN1C=C(C(O)=O)C(=O)C2=CC3=C(OCO3)C=C12 ChemAxon formula C13H11NO5 ChemAxon inchi InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17) ChemAxon inchikey KYGZCKSPAKDVKC-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 65.43 ChemAxon polarizability 26.01 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5926 Specdb::MsMs 241186 Specdb::MsMs 241187 Specdb::MsMs 241188 Specdb::MsMs 243241 Specdb::MsMs 243242 Specdb::MsMs 243243 Cheese Type 2 specific Milk (Cow) Type 2 specific 0.41418 0.63 0.0469 uM