Homothallin II

Details

• Internal ID: 7eb0542c-abde-43a3-9d77-ac2b7e611ea3
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Acyloins
• IUPAC Name: 4-ethenyl-4-hydroxy-3-oxocyclopentene-1-carbonitrile
• InChI: InChI=1S/C8H7NO2/c1-2-8(11)4-6(5-9)3-7(8)10/h2-3,11H,1,4H2
• InChI Key: GFDNNKCENLWCOQ-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₇NO₂
• Molecular Weight: 149.15 g/mol
• Exact Mass: 149.047678466 g/mol
• Topological Polar Surface Area (TPSA): 61.10 Ų
• XlogP: 0.10

Synonyms

• 157566-63-7
• 5-Ethenyl-5-hydroxy-3-isocyano-2-cyclopenten-1-one
• 4-ethenyl-4-hydroxy-3-oxocyclopentene-1-carbonitrile
• 1-Cyclopentene-1-carbonitrile, 4-ethenyl-4-hydroxy-3-oxo-
• RefChem:146776
• DTXSID70935714
• 4-ETHENYL-4-HYDROXY-3-OXOCYCLOPENT-1-ENE-1-CARBONITRILE

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	96.33%	91.11%
CHEMBL1871	P10275	Androgen Receptor	92.23%	96.43%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.27%	95.56%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	85.21%	86.00%
CHEMBL1929	P47989	Xanthine dehydrogenase	84.85%	96.12%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.39%	94.45%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 197679
• LOTUS: LTS0216190
• wikiData: Q77371432