Gibberellin 1

Details

• Internal ID: 0b0e8b72-7649-49ff-a0bc-73509a29e3a0
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > C19-gibberellins > C19-gibberellin 6-carboxylic acids
• IUPAC Name: 5,12-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(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O
• SMILES (Isomeric): CC12C(CCC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O
• InChI: InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)
• InChI Key: JLJLRLWOEMWYQK-UHFFFAOYSA-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: 0.20

Synonyms

• Gibberellin 1
• SCHEMBL13336026
• BCP20061

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	94.19%	96.38%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.27%	95.56%
CHEMBL2581	P07339	Cathepsin D	89.84%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.82%	94.45%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.43%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.91%	97.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.79%	99.23%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	87.42%	93.04%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.31%	89.00%
CHEMBL340	P08684	Cytochrome P450 3A4	83.79%	91.19%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.63%	100.00%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	82.97%	93.03%
CHEMBL5028	O14672	ADAM10	82.26%	97.50%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	81.96%	93.00%

Plants that contains it

• Aralia cordata
• Carica papaya
• Glycine max
• Ipomoea nil
• Populus balsamifera
• Prunus avium
• Solanum tuberosum

Cross-Links

• PubChem: 3509874
• LOTUS: LTS0230984
• wikiData: Q105130807