Gibberellin A34

Details

• Internal ID: abd5bf6d-f19a-4976-bc94-bee97de3b47a
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > C19-gibberellins > C19-gibberellin 6-carboxylic acids
• IUPAC Name: (1R,2R,5R,8R,9S,10R,11S,12R,13S)-12,13-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
• SMILES (Canonical): CC12C3C(C45CC(CCC4C3(CC(C1O)O)OC2=O)C(=C)C5)C(=O)O
• SMILES (Isomeric): C[C@]12[C@H]3[C@@H]([C@@]45C[C@@H](CC[C@H]4[C@@]3(C[C@@H]([C@@H]1O)O)OC2=O)C(=C)C5)C(=O)O
• InChI: InChI=1S/C19H24O6/c1-8-5-18-6-9(8)3-4-11(18)19-7-10(20)14(21)17(2,16(24)25-19)13(19)12(18)15(22)23/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11-,12-,13-,14+,17+,18+,19-/m1/s1
• InChI Key: IGZIQAJJXGRAJF-TXZPEUJSSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₄O₆
• Molecular Weight: 348.40 g/mol
• Exact Mass: 348.15728848 g/mol
• Topological Polar Surface Area (TPSA): 104.00 Ų
• XlogP: 0.70

Synonyms

• 32630-92-5
• GA34
• CHEBI:29593
• (1R,2R,5R,8R,9S,10R,11S,12R,13S)-12,13-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadecane-9-carboxylic acid
• Q27110163
• (1R,2R,5R,8R,9S,10R,11S,12R,13S)-12,13-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
• 2beta,3beta-dihydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acid

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	96.56%	96.38%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.96%	85.14%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.94%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.77%	91.11%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	85.94%	93.00%
CHEMBL2581	P07339	Cathepsin D	85.29%	98.95%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	81.75%	96.77%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	81.43%	97.14%
CHEMBL340	P08684	Cytochrome P450 3A4	81.14%	91.19%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.31%	97.25%
CHEMBL5255	O00206	Toll-like receptor 4	80.27%	92.50%

Plants that contains it

• Abelmoschus esculentus
• Arabidopsis thaliana
• Brassica napus
• Cucumis melo
• Cucumis sativus
• Ipomoea alba
• Ipomoea purpurea
• Leucaena leucocephala
• Matthiola incana
• Picea abies

Cross-Links

• PubChem: 5281987
• LOTUS: LTS0181812
• wikiData: Q27110163