(4R)-4-octylcyclopentane-1,3-dione

Details

• Internal ID: 2647952b-2f08-41f6-ae1a-07069202c2e0
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > 1,3-dicarbonyl compounds > Beta-diketones
• IUPAC Name: (4R)-4-octylcyclopentane-1,3-dione
• InChI: InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-11-9-12(14)10-13(11)15/h11H,2-10H2,1H3/t11-/m1/s1
• InChI Key: SKPOJVSKGJMOJV-LLVKDONJSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₂₂O₂
• Molecular Weight: 210.31 g/mol
• Exact Mass: 210.161979940 g/mol
• Topological Polar Surface Area (TPSA): 34.10 Ų
• XlogP: 3.80

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
CHEMBL2581	P07339	Cathepsin D	96.72%	98.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	95.19%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.39%	96.09%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	90.62%	92.08%
CHEMBL230	P35354	Cyclooxygenase-2	89.13%	89.63%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	86.15%	91.81%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.02%	99.17%
CHEMBL299	P17252	Protein kinase C alpha	85.33%	98.03%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.07%	95.56%
CHEMBL2996	Q05655	Protein kinase C delta	85.02%	97.79%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.36%	91.11%
CHEMBL1907	P15144	Aminopeptidase N	83.62%	93.31%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	83.42%	100.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.27%	97.09%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.01%	90.71%

Plants that contains it

• Allium cepa

Cross-Links

• PubChem: 97046878
• LOTUS: LTS0074629
• wikiData: Q105254975