1.0 2010-04-08 22:13:28 UTC 2019-11-26 03:15:38 UTC FDB018060 Epidihydrophaseic acid Isolated from French beans. Epidihydrophaseic acid is found in pulses. Epidihydrophaseic acid C15H22O5 282.3322 282.146723814 (2E,4E)-5-{3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl}-3-methylpenta-2,4-dienoic acid (2E,4E)-5-{3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl}-3-methylpenta-2,4-dienoic acid 60102-38-7 C\C(\C=C\C1(O)C2(C)COC1(C)CC(O)C2)=C/C(O)=O InChI=1S/C15H22O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,11,16,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6+ XIVFQYWMMJWUCD-UMCKCUICSA-N belongs to the class of organic compounds known as abscisic acids and derivatives. These are terpene compounds containing the abscisic acid moiety, which is characterized by a 3-methylpenta-2,4-dienoic acid attached to the C1 carbon of a 4-oxocyclohex-2-ene moiety. Abscisic acids and derivatives Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Dialkyl ethers Heterocyclic fatty acids Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxepanes Secondary alcohols Tertiary alcohols Tetrahydrofurans Unsaturated fatty acids Abscisic acid Alcohol Aliphatic heteropolycyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Dialkyl ether Ether Fatty acid Fatty acyl Heterocyclic fatty acid Hydrocarbon derivative Hydroxy fatty acid Medium-chain fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Secondary alcohol Tertiary alcohol Tetrahydrofuran Unsaturated fatty acid logp 0.62 ALOGPS logs -2.40 ALOGPS solubility 1.13e+00 g/l ALOGPS logp 0.5 ChemAxon pka_strongest_acidic 4.57 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (2E,4E)-5-{3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl}-3-methylpenta-2,4-dienoic acid ChemAxon average_mass 282.3322 ChemAxon mono_mass 282.146723814 ChemAxon smiles C\C(\C=C\C1(O)C2(C)COC1(C)CC(O)C2)=C/C(O)=O ChemAxon formula C15H22O5 ChemAxon inchi InChI=1S/C15H22O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,11,16,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6+ ChemAxon inchikey XIVFQYWMMJWUCD-UMCKCUICSA-N ChemAxon polar_surface_area 86.99 ChemAxon refractivity 75 ChemAxon polarizability 29.82 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20270 Specdb::CMs 45959 Specdb::CMs 168238 Specdb::MsMs 80319 Specdb::MsMs 80320 Specdb::MsMs 80321 Specdb::MsMs 141153 Specdb::MsMs 141154 Specdb::MsMs 141155 Specdb::MsMs 2686794 Specdb::MsMs 2686795 Specdb::MsMs 2686796 Specdb::MsMs 2991221 Specdb::MsMs 2991222 Specdb::MsMs 2991223 HMDB38661 #<Reference:0x000055ce33398878> Pulses Unknown generic