5,5-Dimethyl-1-(4-methylcyclohex-3-en-1-yl)cyclohexene

Details

• Internal ID: b60ab9b9-0b69-400f-bfae-0132e5f7694d
• Taxonomy: Hydrocarbons > Unsaturated hydrocarbons > Branched unsaturated hydrocarbons
• IUPAC Name: 5,5-dimethyl-1-(4-methylcyclohex-3-en-1-yl)cyclohexene
• SMILES (Canonical): CC1=CCC(CC1)C2=CCCC(C2)(C)C
• SMILES (Isomeric): CC1=CCC(CC1)C2=CCCC(C2)(C)C
• InChI: InChI=1S/C15H24/c1-12-6-8-13(9-7-12)14-5-4-10-15(2,3)11-14/h5-6,13H,4,7-11H2,1-3H3
• InChI Key: BKRLNEMLMVJATK-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄
• Molecular Weight: 204.35 g/mol
• Exact Mass: 204.187800766 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 4.30

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	92.56%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.93%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.58%	97.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.85%	100.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.97%	91.11%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.53%	95.89%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	81.56%	96.77%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.26%	95.56%
CHEMBL2581	P07339	Cathepsin D	80.00%	98.95%

Plants that contains it

• Cupressus macrocarpa

Cross-Links

• PubChem: 21580471
• LOTUS: LTS0112096
• wikiData: Q104937745