Gibberellin A1
(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
Molecular Identity
Gibberellin A1
(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
PubChem CID: 5280379
Gibberellin A1 is a C19-gibberellin, initially identified in Gibberella fujikuroi. It has a role as a plant metabolite. It is a C19-gibberellin, a lactone and a gibberellin monocarboxylic acid. It is a conjugate acid of a gibberellin A1(1-).
2D Structure
Properties
C19H24O6
Molecular Formula
348.40
Molecular Weight
g/mol
348.1573
Exact Mass
Da
0.2
XLogP
Drug-like (Lipinski: < 5)
104
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
731
Complexity
SMILES
Canonical SMILES
SMILES: CC12C(CCC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)OIsomeric SMILES
SMILES: C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)OSynonyms(20)
Gibberellin A1545-97-1CHEBI:27717DTXSID60969689Gibberellin A(1)(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo(9.3.2.15,8.01,10.02,8)heptadecane-9-carboxylic acidRefChem:143088DTXCID001772660829-308-0(1S,2S,4aR,4bR,7S,9aS,10S,10aR)-2,7-Dihydroxy-1-methyl-8-methylene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acidGibberellin 12beta,7alpha-dihydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acid4aa,4bss-Gibbane-1a,10ss-dicarboxylic acid, 2ss,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone (8CI); 4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene, gibbane-1,10-dicarboxylic acid deriv.; (+)-Gibberillin A1; GA1; Giberellin A1GA1
Data from PubChem (NCBI)
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Drug Network
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