Lachnumon B2

Details

• Internal ID: b94b8afb-3a07-4ad1-b1fe-a44515dc6f3e
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones
• IUPAC Name: 6-[(Z)-1-bromoprop-1-enyl]-1-chloro-5-hydroxy-4-methoxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
• InChI: InChI=1S/C10H10BrClO4/c1-3-6(11)9-8(14)5(15-2)4-7(13)10(9,12)16-9/h3-4,8,14H,1-2H3/b6-3-
• InChI Key: ZUIUWTMUNDXACU-UTCJRWHESA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₀BrClO₄
• Molecular Weight: 309.54 g/mol
• Exact Mass: 307.94510 g/mol
• Topological Polar Surface Area (TPSA): 59.10 Ų
• XlogP: 0.60

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.28%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.53%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.50%	96.09%
CHEMBL230	P35354	Cyclooxygenase-2	85.74%	89.63%
CHEMBL2581	P07339	Cathepsin D	85.43%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.43%	94.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.15%	86.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.27%	94.45%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10018222
• LOTUS: LTS0111711
• wikiData: Q77567989