3,4-Dibromo-5-(methoxymethyl)benzene-1,2-diol

Details

• Internal ID: 0bdaea47-2f1a-437b-b685-148e0aa4b07a
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzylethers
• IUPAC Name: 3,4-dibromo-5-(methoxymethyl)benzene-1,2-diol
• InChI: InChI=1S/C8H8Br2O3/c1-13-3-4-2-5(11)8(12)7(10)6(4)9/h2,11-12H,3H2,1H3
• InChI Key: SOPOZEAOODNSCK-UHFFFAOYSA-N
• Popularity: 17 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₈Br₂O₃
• Molecular Weight: 311.95 g/mol
• Exact Mass: 311.88197 g/mol
• Topological Polar Surface Area (TPSA): 49.70 Ų
• XlogP: 2.20

Synonyms

• 3,4-dibromo-5-(methoxymethyl)benzene-1,2-diol
• NSC243463
• CHEMBL402381
• DTXSID40311440
• NSC-243463
• 2,3-dibromo-4,5-dihydroxybenzyl methyl ether

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	98.97%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.67%	96.09%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.26%	94.00%
CHEMBL4208	P20618	Proteasome component C5	87.65%	90.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.09%	99.17%
CHEMBL2581	P07339	Cathepsin D	86.52%	98.95%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	85.58%	99.15%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.96%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	83.55%	94.73%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	80.69%	89.62%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 316020
• LOTUS: LTS0076309
• wikiData: Q82061125