(3R,6S)-3-hydroperoxy-3-methyl-6-prop-1-en-2-ylcyclohexene

Details

• Internal ID: d7bb67f4-8ae8-4727-8439-6f01a517f268
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids
• IUPAC Name: (3R,6S)-3-hydroperoxy-3-methyl-6-prop-1-en-2-ylcyclohexene
• InChI: InChI=1S/C10H16O2/c1-8(2)9-4-6-10(3,12-11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10+/m1/s1
• InChI Key: LCOVCELWSKTKHX-ZJUUUORDSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₆O₂
• Molecular Weight: 168.23 g/mol
• Exact Mass: 168.115029749 g/mol
• Topological Polar Surface Area (TPSA): 29.50 Ų
• XlogP: 2.40

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.51%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.20%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	93.60%	91.49%
CHEMBL253	P34972	Cannabinoid CB2 receptor	91.05%	97.25%
CHEMBL240	Q12809	HERG	90.47%	89.76%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.11%	95.89%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.87%	94.45%
CHEMBL241	Q14432	Phosphodiesterase 3A	83.69%	92.94%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.56%	97.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.97%	100.00%

Plants that contains it

• Dysphania ambrosioides

Cross-Links

• PubChem: 10419566
• LOTUS: LTS0128535
• wikiData: Q105149932