4-Bromo-2-(4-bromo-5,5-dimethyloxolan-2-yl)but-3-en-2-ol

Details

• Internal ID: 04514355-d018-4d6d-baea-9307c7fb047b
• Taxonomy: Organoheterocyclic compounds > Tetrahydrofurans
• IUPAC Name: 4-bromo-2-(4-bromo-5,5-dimethyloxolan-2-yl)but-3-en-2-ol
• InChI: InChI=1S/C10H16Br2O2/c1-9(2)7(12)6-8(14-9)10(3,13)4-5-11/h4-5,7-8,13H,6H2,1-3H3
• InChI Key: UIVSTSHQZIFSSM-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₆Br₂O₂
• Molecular Weight: 328.04 g/mol
• Exact Mass: 327.94966 g/mol
• Topological Polar Surface Area (TPSA): 29.50 Ų
• XlogP: 2.20

Synonyms

There are no found synonyms.

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
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	90.87%	96.77%
CHEMBL253	P34972	Cannabinoid CB2 receptor	90.75%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.59%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.37%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.82%	95.56%
CHEMBL340	P08684	Cytochrome P450 3A4	84.04%	91.19%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	83.16%	91.07%
CHEMBL218	P21554	Cannabinoid CB1 receptor	81.91%	96.61%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	80.99%	97.14%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	80.92%	91.03%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.36%	89.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 73811711
• LOTUS: LTS0129813
• wikiData: Q105273630