1.0 2020-04-02 17:55:31 UTC 2025-11-19 03:07:59 UTC FDB097393 Z-10 devinylajoene C14H18N2O6 310.306 310.116486308 (1Z)-1-(methyldisulfanyl)-3-(prop-2-ene-1-sulfinyl)prop-1-ene (1Z)-1-(methyldisulfanyl)-3-(prop-2-ene-1-sulfinyl)prop-1-ene CC(C)[C@H](\N=C/C=C1\C[C@H](NC(=C1)C(O)=O)C(O)=O)C(O)=O InChI=1S/C14H18N2O6/c1-7(2)11(14(21)22)15-4-3-8-5-9(12(17)18)16-10(6-8)13(19)20/h3-5,7,10-11,16H,6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b8-3-,15-4-/t10-,11-/m0/s1 OFCWWHRZBKKYLH-NUYXRTHPSA-N belongs to the class of organic compounds known as sulfoxides. Sulfoxides are compounds containing a sulfoxide functional group, with the structure RS(=O)R' (R,R' not H). Sulfoxides Organic compounds Organosulfur compounds Sulfoxides Aliphatic acyclic compounds Allyl sulfur compounds Hydrocarbon derivatives Organic disulfides Organic oxides Sulfenyl compounds Sulfinyl compounds Aliphatic acyclic compound Allyl sulfur compound Hydrocarbon derivative Organic disulfide Organic oxide Organic oxygen compound Sulfenyl compound Sulfinyl compound Sulfoxide logp 1.74 ALOGPS logs -1.60 ALOGPS solubility 5.19e+00 g/l ALOGPS logp 0.95 ChemAxon pka_strongest_acidic 14.9 ChemAxon pka_strongest_basic -8.1 ChemAxon iupac (1Z)-1-(methyldisulfanyl)-3-(prop-2-ene-1-sulfinyl)prop-1-ene ChemAxon average_mass 310.306 ChemAxon mono_mass 310.116486308 ChemAxon smiles CC(C)[C@H](\N=C/C=C1\C[C@H](NC(=C1)C(O)=O)C(O)=O)C(O)=O ChemAxon formula C14H18N2O6 ChemAxon inchi InChI=1S/C14H18N2O6/c1-7(2)11(14(21)22)15-4-3-8-5-9(12(17)18)16-10(6-8)13(19)20/h3-5,7,10-11,16H,6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b8-3-,15-4-/t10-,11-/m0/s1 ChemAxon inchikey OFCWWHRZBKKYLH-NUYXRTHPSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 59.87 ChemAxon polarizability 20.9 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5887 Specdb::MsMs 241000 Specdb::MsMs 241001 Specdb::MsMs 241002 Specdb::MsMs 243055 Specdb::MsMs 243056 Specdb::MsMs 243057 Garlic Type 1 specific Allium sativum 4682 Lettuce Type 1 specific Lactuca sativa 4236 1.5 1.5 1.5 mg/100 g Milk (Cow) Type 2 specific 119.55 336.0 1.2 uM