CID 9837238

Details

• Internal ID: 9cc71c9a-0f84-4e49-87b0-771e7ba92a4c
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Prenylated hydroquinones
• IUPAC Name: 2-(2,3-dihydroxy-3-methylbutyl)benzene-1,4-diol
• InChI: InChI=1S/C11H16O4/c1-11(2,15)10(14)6-7-5-8(12)3-4-9(7)13/h3-5,10,12-15H,6H2,1-2H3
• InChI Key: VYXPSMUFCGRWJC-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₆O₄
• Molecular Weight: 212.24 g/mol
• Exact Mass: 212.10485899 g/mol
• Topological Polar Surface Area (TPSA): 80.90 Ų
• XlogP: 0.80

Synonyms

• F-11334-A1
• CHEMBL444672
• AKOS027407706
• PD129147
• F 11334A1

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	97.49%	91.11%
CHEMBL2581	P07339	Cathepsin D	95.99%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.59%	96.09%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	89.91%	99.15%
CHEMBL3401	O75469	Pregnane X receptor	89.87%	94.73%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	89.37%	97.23%
CHEMBL242	Q92731	Estrogen receptor beta	87.30%	98.35%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	86.71%	90.93%
CHEMBL2535	P11166	Glucose transporter	83.96%	98.75%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	83.18%	89.62%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.81%	86.33%
CHEMBL4208	P20618	Proteasome component C5	82.68%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.44%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.49%	99.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 9837238
• LOTUS: LTS0184021
• wikiData: Q77561452