Gibberellin A58

Details

• Internal ID: d7becd12-ebf2-4058-b91c-191ed924036b
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > C19-gibberellins > C19-gibberellin 6-carboxylic acids
• IUPAC Name: (1R,2R,4S,5R,8R,9S,10R,11S,12S)-4,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
• SMILES (Canonical): CC12C(CCC3(C1C(C45C3CC(C(C4)C(=C)C5)O)C(=O)O)OC2=O)O
• SMILES (Isomeric): C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3C[C@@H]([C@H](C4)C(=C)C5)O)C(=O)O)OC2=O)O
• InChI: InChI=1S/C19H24O6/c1-8-6-18-7-9(8)10(20)5-11(18)19-4-3-12(21)17(2,16(24)25-19)14(19)13(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: VFOHPKBOIYTDJT-CCGADRJDSA-N
• Popularity: 4 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: 0.30

Synonyms

• GA58
• DTXSID801108411
• 77288-90-5
• Gibbane-1,10-dicarboxylic acid, 2,4a,6-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,4aalpha,4bbeta,6alpha,10beta)-

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	91.54%	96.38%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.31%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.55%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.77%	91.11%
CHEMBL340	P08684	Cytochrome P450 3A4	87.37%	91.19%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.59%	89.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.50%	85.14%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.23%	99.23%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	84.67%	93.04%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	81.94%	93.00%
CHEMBL1994	P08235	Mineralocorticoid receptor	81.68%	100.00%
CHEMBL5028	O14672	ADAM10	81.41%	97.50%
CHEMBL4530	P00488	Coagulation factor XIII	80.18%	96.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.18%	94.45%

Plants that contains it

• Carica papaya
• Cibotium glaucum
• Cucurbita maxima

Cross-Links

• PubChem: 101603124
• LOTUS: LTS0196385
• wikiData: Q105285476