1-Methyl-4-(1,5-dimethyl-2,4-hexadieneyl)cyclohexene

Details

• Internal ID: eb4777dd-46e7-473d-a24d-3bf8e5ec662b
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 1-methyl-4-(6-methylhepta-3,5-dien-2-yl)cyclohexene
• SMILES (Canonical): CC1=CCC(CC1)C(C)C=CC=C(C)C
• SMILES (Isomeric): CC1=CCC(CC1)C(C)C=CC=C(C)C
• InChI: InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h5-8,14-15H,9-11H2,1-4H3
• InChI Key: JFQWVAKAFGBVLR-UHFFFAOYSA-N
• Popularity: 1 reference 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: 5.00

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	93.08%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.76%	96.09%
CHEMBL2581	P07339	Cathepsin D	86.92%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.46%	95.56%
CHEMBL3359	P21462	Formyl peptide receptor 1	86.22%	93.56%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	84.85%	95.89%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.34%	95.89%
CHEMBL1994	P08235	Mineralocorticoid receptor	81.12%	100.00%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	80.98%	97.21%
CHEMBL3401	O75469	Pregnane X receptor	80.18%	94.73%

Plants that contains it

• Daucus carota

Cross-Links

• PubChem: 129659854
• LOTUS: LTS0075953
• wikiData: Q105126849