1.0 2010-04-08 22:10:50 UTC 2019-11-26 03:08:47 UTC FDB013646 Gibberellin A50 Constituent of immature seeds of bottle gourd (Lagenaria leucantha). Gibberellin A50 is found in calabash, loquat, and green vegetables. GA50 Gibberellin A50 C19H24O7 364.3897 364.152203122 3,12,13-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid 3,12,13-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid 68062-25-9 CC12C3C(C(O)=O)C45CC(CC(O)C4C3(CC(O)C1O)OC2=O)C(=C)C5 InChI=1S/C19H24O7/c1-7-4-18-5-8(7)3-9(20)12(18)19-6-10(21)14(22)17(2,16(25)26-19)13(19)11(18)15(23)24/h8-14,20-22H,1,3-6H2,2H3,(H,23,24) FKMJLJSSQHSAEF-UHFFFAOYSA-N belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides. Macrolactams Organic compounds Phenylpropanoids and polyketides Macrolactams Aromatic heteropolycyclic compounds Alkyl aryl ethers Amino acids and derivatives Anisoles Azacyclic compounds Carbonyl compounds Dialkylamines Diarylethers Hydrocarbon derivatives Lactams Organic oxides Organopnictogen compounds Oxacyclic compounds Secondary carboxylic acid amides Alkyl aryl ether Amine Amino acid or derivatives Anisole Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Diaryl ether Ether Hydrocarbon derivative Lactam Macrolactam Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Secondary aliphatic amine Secondary amine Secondary carboxylic acid amide logp -0.39 ALOGPS logs -1.42 ALOGPS solubility 1.39e+01 g/l ALOGPS logp -0.93 ChemAxon pka_strongest_acidic 4.11 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 3,12,13-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid ChemAxon average_mass 364.3897 ChemAxon mono_mass 364.152203122 ChemAxon smiles CC12C3C(C(O)=O)C45CC(CC(O)C4C3(CC(O)C1O)OC2=O)C(=C)C5 ChemAxon formula C19H24O7 ChemAxon inchi InChI=1S/C19H24O7/c1-7-4-18-5-8(7)3-9(20)12(18)19-6-10(21)14(22)17(2,16(25)26-19)13(19)11(18)15(23)24/h8-14,20-22H,1,3-6H2,2H3,(H,23,24) ChemAxon inchikey FKMJLJSSQHSAEF-UHFFFAOYSA-N ChemAxon polar_surface_area 124.29 ChemAxon refractivity 86.97 ChemAxon polarizability 36.42 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12077 Specdb::CMs 44148 Specdb::MsMs 42750 Specdb::MsMs 42751 Specdb::MsMs 42752 Specdb::MsMs 176271 Specdb::MsMs 176272 Specdb::MsMs 176273 HMDB35038 #<Reference:0x000055ce31dd8e48> Calabash Type 1 specific Lagenaria siceraria 3668 Green vegetables Unknown generic Loquat Type 1 specific Eriobotrya japonica 32224