Gibberellin A37

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties

Targets (proven and/or predicted)

Plants that contains it

Cross-Links

Details

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Internal ID	ebd1b98b-e40a-4a42-b1aa-86d40d4f5824
Taxonomy	Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > C19-gibberellins > C19-gibberellin 6-carboxylic acids
IUPAC Name	(1R,2R,5R,8R,9S,10S,11S,17S)-17-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid
SMILES (Canonical)	CC12C(CCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)COC2=O)O
SMILES (Isomeric)	C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)COC2=O)O
InChI	InChI=1S/C20H26O5/c1-10-7-20-8-11(10)3-4-12(20)19-6-5-13(21)18(2,17(24)25-9-19)15(19)14(20)16(22)23/h11-15,21H,1,3-9H2,2H3,(H,22,23)/t11-,12+,13+,14-,15-,18-,19-,20+/m1/s1
InChI Key	QYXZQZMPZUEEML-SQLMURCQSA-N
Popularity	4 references in papers

Physical and Chemical Properties

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Molecular Formula	C₂₀H₂₆O₅
Molecular Weight	346.40 g/mol
Exact Mass	346.17802393 g/mol
Topological Polar Surface Area (TPSA)	83.80 Å²
XlogP	2.10

Synonyms

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Gibberellin A37 open lactone

GA37

SCHEMBL20604705

CHEBI:29596

DTXSID001317032

38231-54-8

Q27104076

(1R,2R,5R,8R,9S,10S,11S,17S)-17-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1(5,8).0(1,10).0(2,8)]octadecane-9-carboxylic acid

(1R,2R,5R,8R,9S,10S,11S,17S)-17-Hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid

2beta-hydroxy-1beta-methyl-8-methylidene-12-oxo-1alpha,4a-(methanooxymethano)-4aalpha,4bbeta-gibbane-10beta-carboxylic acid

2D Structure

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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
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	95.47%	96.38%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	90.98%	96.77%
CHEMBL253	P34972	Cannabinoid CB2 receptor	88.83%	97.25%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.01%	95.56%
CHEMBL221	P23219	Cyclooxygenase-1	86.87%	90.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.85%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.98%	94.45%
CHEMBL2581	P07339	Cathepsin D	84.77%	98.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.56%	100.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	84.55%	97.09%
CHEMBL340	P08684	Cytochrome P450 3A4	84.41%	91.19%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.02%	96.09%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	82.62%	93.00%

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.