10-Cyclopentyldecanoic acid

Details

• Internal ID: 68591e25-a247-440a-bf92-68f08d15b4ce
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids
• IUPAC Name: 10-cyclopentyldecanoic acid
• SMILES (Canonical): C1CCC(C1)CCCCCCCCCC(=O)O
• SMILES (Isomeric): C1CCC(C1)CCCCCCCCCC(=O)O
• InChI: InChI=1S/C15H28O2/c16-15(17)13-7-5-3-1-2-4-6-10-14-11-8-9-12-14/h14H,1-13H2,(H,16,17)
• InChI Key: XMKHJDJISUCUGF-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₈O₂
• Molecular Weight: 240.38 g/mol
• Exact Mass: 240.208930132 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 6.10

Synonyms

• 11-Cyclopentylundecanoic acid
• 10592-45-7
• SCHEMBL14890569
• CHEBI:87377
• DTXSID80711869
• Q27159570

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.86%	96.09%
CHEMBL220	P22303	Acetylcholinesterase	94.67%	94.45%
CHEMBL2581	P07339	Cathepsin D	90.38%	98.95%
CHEMBL237	P41145	Kappa opioid receptor	89.79%	98.10%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.59%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.88%	91.11%
CHEMBL5255	O00206	Toll-like receptor 4	87.71%	92.50%
CHEMBL5285	Q99683	Mitogen-activated protein kinase kinase kinase 5	86.02%	92.26%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.62%	97.09%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	85.37%	95.50%
CHEMBL3359	P21462	Formyl peptide receptor 1	84.93%	93.56%
CHEMBL4979	P13866	Sodium/glucose cotransporter 1	84.23%	98.24%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	84.22%	95.17%
CHEMBL1968	P07099	Epoxide hydrolase 1	83.84%	98.57%
CHEMBL340	P08684	Cytochrome P450 3A4	83.42%	91.19%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	82.86%	93.00%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	82.39%	98.33%
CHEMBL4227	P25090	Lipoxin A4 receptor	80.98%	100.00%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	80.66%	93.04%

Plants that contains it

• Vitis vinifera

Cross-Links

• PubChem: 54512352
• LOTUS: LTS0165529
• wikiData: Q27159570