Gibberellin A59

Details

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Internal ID 8b6b7f8a-53e5-41f6-90e7-096a9fa26e90
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > C19-gibberellins > C19-gibberellin 6-carboxylic acids
IUPAC Name (1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9,11-dicarboxylic acid
SMILES (Canonical) C=C1CC23CC1(CCC2C45CC=CC(C4C3C(=O)O)(C(=O)O5)C(=O)O)O
SMILES (Isomeric) C=C1C[C@]23C[C@]1(CC[C@H]2[C@]45CC=C[C@]([C@H]4[C@@H]3C(=O)O)(C(=O)O5)C(=O)O)O
InChI InChI=1S/C19H20O7/c1-9-7-16-8-17(9,25)6-3-10(16)19-5-2-4-18(14(22)23,15(24)26-19)12(19)11(16)13(20)21/h2,4,10-12,25H,1,3,5-8H2,(H,20,21)(H,22,23)/t10-,11-,12-,16+,17+,18-,19-/m1/s1
InChI Key OCSSJFLGODGXOU-ZGHMGGRHSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C19H20O7
Molecular Weight 360.40 g/mol
Exact Mass 360.12090297 g/mol
Topological Polar Surface Area (TPSA) 121.00 Ų
XlogP 1.00

Synonyms

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GA59
DTXSID801316864
78333-20-7

2D Structure

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2D Structure of Gibberellin A59

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.99% 94.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.00% 91.11%
CHEMBL253 P34972 Cannabinoid CB2 receptor 92.28% 97.25%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.72% 97.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.98% 95.56%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 87.21% 93.04%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.36% 99.23%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.03% 89.00%
CHEMBL2581 P07339 Cathepsin D 84.18% 98.95%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 81.76% 96.38%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.29% 95.89%
CHEMBL3922 P50579 Methionine aminopeptidase 2 80.49% 97.28%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Canavalia gladiata

Cross-Links

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PubChem 101603125
LOTUS LTS0254554
wikiData Q105189554