1.0 2010-04-08 22:13:55 UTC 2019-11-26 03:16:40 UTC FDB018778 Pisumic acid Isolated from peas (Pisum sativum) irrigated with (±)-abscisic acid. Pisumic acid is found in common pea. Pisumic acid C15H22O5 282.3322 282.146723814 (2E,4E)-5-[1,4-dihydroxy-6-(hydroxymethyl)-2,6-dimethylcyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid (2E,4E)-5-[1,4-dihydroxy-6-(hydroxymethyl)-2,6-dimethylcyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid C\C(\C=C\C1(O)C(C)=CC(O)CC1(C)CO)=C/C(O)=O InChI=1S/C15H22O5/c1-10(6-13(18)19)4-5-15(20)11(2)7-12(17)8-14(15,3)9-16/h4-7,12,16-17,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6+ GBHKILLDPRFXNU-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 homomonocyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Primary alcohols Secondary alcohols Tertiary alcohols Unsaturated fatty acids Abscisic acid Alcohol Aliphatic homomonocyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Fatty acyl Hydrocarbon derivative Hydroxy fatty acid Medium-chain fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Tertiary alcohol Unsaturated fatty acid logp 0.51 ALOGPS logs -2.51 ALOGPS solubility 8.82e-01 g/l ALOGPS logp 0.4 ChemAxon pka_strongest_acidic 4.64 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac (2E,4E)-5-[1,4-dihydroxy-6-(hydroxymethyl)-2,6-dimethylcyclohex-2-en-1-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)C(C)=CC(O)CC1(C)CO)=C/C(O)=O ChemAxon formula C15H22O5 ChemAxon inchi InChI=1S/C15H22O5/c1-10(6-13(18)19)4-5-15(20)11(2)7-12(17)8-14(15,3)9-16/h4-7,12,16-17,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6+ ChemAxon inchikey GBHKILLDPRFXNU-UMCKCUICSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 77.65 ChemAxon polarizability 29.89 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13469 Specdb::CMs 46331 Specdb::CMs 136939 Specdb::CMs 144673 Specdb::MsMs 109014 Specdb::MsMs 109015 Specdb::MsMs 109016 Specdb::MsMs 176370 Specdb::MsMs 176371 Specdb::MsMs 176372 Specdb::MsMs 2305554 Specdb::MsMs 2305555 Specdb::MsMs 2305556 Specdb::MsMs 3062824 Specdb::MsMs 3062825 Specdb::MsMs 3062826 HMDB39241 #<Reference:0x000055ce3244c518> Common pea Type 1 specific Pisum sativum 3888