Cyclohexene, 1-pentyl-

Details

• Internal ID: ec3dcdc0-e3ed-4499-b460-cc3c1996a71c
• Taxonomy: Hydrocarbons > Unsaturated hydrocarbons > Branched unsaturated hydrocarbons
• IUPAC Name: 1-pentylcyclohexene
• SMILES (Canonical): CCCCCC1=CCCCC1
• SMILES (Isomeric): CCCCCC1=CCCCC1
• InChI: InChI=1S/C11H20/c1-2-3-5-8-11-9-6-4-7-10-11/h9H,2-8,10H2,1H3
• InChI Key: IOTQTOFPEVQVPG-UHFFFAOYSA-N
• Popularity: 10 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₂₀
• Molecular Weight: 152.28 g/mol
• Exact Mass: 152.156500638 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 4.40

Synonyms

• Cyclohexene, 1-pentyl-
• 1-Pentyl-1-cyclohexene
• 15232-85-6
• 1-pentyl-cyclohexene
• 1-Pentylcyclohexene-1
• DTXSID40164998
• IOTQTOFPEVQVPG-UHFFFAOYSA-N

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
CHEMBL230	P35354	Cyclooxygenase-2	98.23%	89.63%
CHEMBL253	P34972	Cannabinoid CB2 receptor	95.56%	97.25%
CHEMBL2581	P07339	Cathepsin D	95.19%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.22%	96.09%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	87.71%	92.08%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	86.65%	100.00%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	84.48%	92.86%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.66%	91.11%
CHEMBL4208	P20618	Proteasome component C5	81.55%	90.00%
CHEMBL5805	Q9NR97	Toll-like receptor 8	81.02%	96.25%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.97%	86.33%

Plants that contains it

• Caryocar coriaceum

Cross-Links

• PubChem: 139915
• LOTUS: LTS0068454
• wikiData: Q83034111