1.0 2010-04-08 22:04:57 UTC 2019-11-26 02:56:26 UTC FDB001399 Gibberellin A84 Gibberellin a84 is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a84 is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a84 can be found in apple and loquat, which makes gibberellin a84 a potential biomarker for the consumption of these food products. GA84 C19H24O5 332.3909 332.162373878 (1S,2S,3S,5S,8R,9S,10R,11S)-3-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid (1S,2S,3S,5S,8R,9S,10R,11S)-3-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid 113393-62-7 [H][C@]12[C@H](C(O)=O)[C@@]34C[C@@H](C[C@H](O)[C@@]3([H])[C@]11CCC[C@]2(C)C(=O)O1)C(=C)C4 InChI=1S/C19H24O5/c1-9-7-18-8-10(9)6-11(20)13(18)19-5-3-4-17(2,16(23)24-19)14(19)12(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,14-,17-,18-,19-/m1/s1 QFNOXIVRVOZOPN-XFEHBKOQSA-N belongs to the class of organic compounds known as c19-gibberellin 6-carboxylic acids. These are c19-gibberellins with a carboxyl group at the 6-position. C19-gibberellin 6-carboxylic acids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Carboxylic acids Cyclic alcohols and derivatives Dicarboxylic acids and derivatives Diterpene lactones Gamma butyrolactones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxepanes Secondary alcohols Tetrahydrofurans 20-norgibberellane-6-carboxylic acid Alcohol Aliphatic heteropolycyclic compound Caprolactone Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dicarboxylic acid or derivatives Diterpene lactone Gamma butyrolactone Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Secondary alcohol Tetrahydrofuran logp 1.26 ALOGPS logs -2.32 ALOGPS solubility 1.58e+00 g/l ALOGPS logp 1.45 ChemAxon pka_strongest_acidic 4.29 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac (1S,2S,3S,5S,8R,9S,10R,11S)-3-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid ChemAxon average_mass 332.3909 ChemAxon mono_mass 332.162373878 ChemAxon smiles [H][C@]12[C@H](C(O)=O)[C@@]34C[C@@H](C[C@H](O)[C@@]3([H])[C@]11CCC[C@]2(C)C(=O)O1)C(=C)C4 ChemAxon formula C19H24O5 ChemAxon inchi InChI=1S/C19H24O5/c1-9-7-18-8-10(9)6-11(20)13(18)19-5-3-4-17(2,16(23)24-19)14(19)12(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,14-,17-,18-,19-/m1/s1 ChemAxon inchikey QFNOXIVRVOZOPN-XFEHBKOQSA-N ChemAxon polar_surface_area 83.83 ChemAxon refractivity 84.13 ChemAxon polarizability 46.24 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 107640 Specdb::MsMs 107641 Specdb::MsMs 107642 Specdb::MsMs 174660 Specdb::MsMs 174661 Specdb::MsMs 174662 Apple Type 1 specific Malus pumila 283210 Loquat Type 1 specific Eriobotrya japonica 32224