1.0 2010-04-08 22:09:32 UTC 2019-11-26 03:04:43 UTC FDB011250 8,12-Epoxy-4(15),7,11-eudesmatrien-1-one Constituent of Smyrnium olusatrum (alexanders). 8,12-Epoxy-4(15),7,11-eudesmatrien-1-one is found in green vegetables. C15H18O2 230.3022 230.13067982 3,8a-dimethyl-5-methylidene-4H,4aH,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan-8-one 3,8a-dimethyl-5-methylidene-4H,4aH,6H,7H,9H-naphtho[2,3-b]furan-8-one 220289-78-1 CC1=COC2=C1CC1C(=C)CCC(=O)C1(C)C2 InChI=1S/C15H18O2/c1-9-4-5-14(16)15(3)7-13-11(6-12(9)15)10(2)8-17-13/h8,12H,1,4-7H2,2-3H3 AKNPMCISDQNRFC-UHFFFAOYSA-N belongs to the class of organic compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5. Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aromatic heteropolycyclic compounds Benzofurans Furans Heteroaromatic compounds Hydrocarbon derivatives Ketones Naphthofurans Organic oxides Oxacyclic compounds Aromatic heteropolycyclic compound Benzofuran Carbonyl group Furan Furoeremophilane sesquiterpenoid Heteroaromatic compound Hydrocarbon derivative Ketone Naphthofuran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp 3.02 ALOGPS logs -3.68 ALOGPS solubility 4.77e-02 g/l ALOGPS logp 3.41 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 3,8a-dimethyl-5-methylidene-4H,4aH,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan-8-one ChemAxon average_mass 230.3022 ChemAxon mono_mass 230.13067982 ChemAxon smiles CC1=COC2=C1CC1C(=C)CCC(=O)C1(C)C2 ChemAxon formula C15H18O2 ChemAxon inchi InChI=1S/C15H18O2/c1-9-4-5-14(16)15(3)7-13-11(6-12(9)15)10(2)8-17-13/h8,12H,1,4-7H2,2-3H3 ChemAxon inchikey AKNPMCISDQNRFC-UHFFFAOYSA-N ChemAxon polar_surface_area 30.21 ChemAxon refractivity 67.12 ChemAxon polarizability 25.83 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12086 Specdb::CMs 136194 Specdb::CMs 143928 Specdb::MsMs 92940 Specdb::MsMs 92941 Specdb::MsMs 92942 Specdb::MsMs 156636 Specdb::MsMs 156637 Specdb::MsMs 156638 Specdb::MsMs 2336677 Specdb::MsMs 2336678 Specdb::MsMs 2336679 Specdb::MsMs 2628563 Specdb::MsMs 2628564 Specdb::MsMs 2628565 HMDB33235 #<Reference:0x000055ce30238ee0> Green vegetables Unknown generic