(6R)-3-Methylidene-6-(1,2,2-trimethylcyclopentyl)cyclohex-1-ene

Details

• Internal ID: dbd84c23-9e2b-4eef-94d2-d0527ff7ba9b
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (6R)-3-methylidene-6-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexene
• SMILES (Canonical): CC1(CCCC1(C)C2CCC(=C)C=C2)C
• SMILES (Isomeric): C[C@]1(CCCC1(C)C)[C@@H]2CCC(=C)C=C2
• InChI: InChI=1S/C15H24/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6,8,13H,1,5,7,9-11H2,2-4H3/t13-,15-/m0/s1
• InChI Key: QPXHUMFBJLASJO-ZFWWWQNUSA-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: 5.40

Synonyms

• DTXSID20797824
• (6R)-3-Methylidene-6-(1,2,2-trimethylcyclopentyl)cyclohex-1-ene

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	92.47%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.72%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.30%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.27%	95.56%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.89%	100.00%
CHEMBL2581	P07339	Cathepsin D	85.01%	98.95%
CHEMBL1951	P21397	Monoamine oxidase A	83.79%	91.49%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.68%	95.89%
CHEMBL1937	Q92769	Histone deacetylase 2	82.51%	94.75%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.52%	97.09%

Plants that contains it

• Lepidozia fauriana
• Marchantia polymorpha
• Reboulia hemisphaerica

Cross-Links

• PubChem: 71375071
• LOTUS: LTS0199942
• wikiData: Q82769226