(3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene

Details

• Internal ID: b810d70d-739e-48ca-ad48-f11a3399c80d
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Monocyclic monoterpenoids
• IUPAC Name: (3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene
• SMILES (Canonical): CC(=C)C1C=CCCC1(C)C=C
• SMILES (Isomeric): CC(=C)[C@H]1C=CCC[C@]1(C)C=C
• InChI: InChI=1S/C12H18/c1-5-12(4)9-7-6-8-11(12)10(2)3/h5-6,8,11H,1-2,7,9H2,3-4H3/t11-,12+/m1/s1
• InChI Key: BGDQCKOAZKTOFV-NEPJUHHUSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₈
• Molecular Weight: 162.27 g/mol
• Exact Mass: 162.140850574 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 4.60

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.61%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.12%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	91.50%	97.25%
CHEMBL1951	P21397	Monoamine oxidase A	84.31%	91.49%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.18%	100.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.01%	94.45%
CHEMBL3492	P49721	Proteasome Macropain subunit	82.72%	90.24%
CHEMBL1937	Q92769	Histone deacetylase 2	80.93%	94.75%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.16%	86.33%

Plants that contains it

• Ruta graveolens

Cross-Links

• PubChem: 12310054
• LOTUS: LTS0126700
• wikiData: Q104935421