Geroquinol

Details

• Internal ID: 69ea1f36-8b6a-46f1-9629-361c6ad236fb
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Prenylated hydroquinones
• IUPAC Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]benzene-1,4-diol
• SMILES (Canonical): CC(=CCCC(=CCC1=C(C=CC(=C1)O)O)C)C
• SMILES (Isomeric): CC(=CCC/C(=C/CC1=C(C=CC(=C1)O)O)/C)C
• InChI: InChI=1S/C16H22O2/c1-12(2)5-4-6-13(3)7-8-14-11-15(17)9-10-16(14)18/h5,7,9-11,17-18H,4,6,8H2,1-3H3/b13-7+
• InChI Key: ZSCRTFONTNMQBL-NTUHNPAUSA-N
• Popularity: 60 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₂O₂
• Molecular Weight: 246.34 g/mol
• Exact Mass: 246.161979940 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 5.00

Synonyms

• Geranylhydroquinone
• 10457-66-6
• Geroquinolum
• 2-Geranylhydroquinone
• geranyl-1,4-benzenediol
• 2-diprenyl-1,4-hydroquinone
• 2-[(2E)-3,7-dimethylocta-2,6-dienyl]benzene-1,4-diol
• CHEBI:24233
• trans-(3,7-dimethyl-2,6-octadienyl)hydroquinone
• 4155989DN5
• Gerochinolo [DCIT]
• Gerochinolo
• 2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]benzene-1,4-diol
• trans-1,4-dihydroxy-2-(3,7-dimethyl-2,6-octadienyl)benzene
• Geroquinol [INN:DCF]
• Geroquinolum [INN-Latin]
• UNII-4155989DN5
• GEROQUINOL [INN]
• SCHEMBL557012
• SCHEMBL557013
• CHEMBL459815
• GERANYLHYDROQUINONE [MI]
• DTXSID00893651
• Q27109836
• 1,4-Benzenediol, 2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.46%	91.11%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	93.89%	92.08%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	92.68%	93.10%
CHEMBL3401	O75469	Pregnane X receptor	92.44%	94.73%
CHEMBL2581	P07339	Cathepsin D	91.76%	98.95%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	88.20%	83.57%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.29%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.98%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.94%	86.33%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	84.92%	99.15%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.56%	94.45%
CHEMBL4208	P20618	Proteasome component C5	84.26%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.19%	95.56%

Plants that contains it

• Cordia elaeagnoides
• Lithospermum erythrorhizon
• Phacelia crenulata

Cross-Links

• PubChem: 5281857
• LOTUS: LTS0171255
• wikiData: Q27109836