1-Methyl-4-(6-methylhept-5-en-2-ylidene)cyclohex-1-ene

Details

• Internal ID: 251718c4-9591-4099-a048-4a9a9cd993ac
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene
• SMILES (Canonical): CC1=CCC(=C(C)CCC=C(C)C)CC1
• SMILES (Isomeric): CC1=CCC(=C(C)CCC=C(C)C)CC1
• InChI: InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3
• InChI Key: XBGUIVFBMBVUEG-UHFFFAOYSA-N
• Popularity: 29 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: 4.70

Synonyms

• 1-Methyl-4-(6-methylhept-5-en-2-ylidene)cyclohex-1-ene
• DTXSID9052131
• AKOS028108548
• FT-0778155
• F87290
• Q27121553
• 2-Methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.43%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	89.28%	94.73%
CHEMBL2581	P07339	Cathepsin D	88.47%	98.95%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	85.73%	92.08%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.12%	96.09%
CHEMBL4208	P20618	Proteasome component C5	80.44%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.40%	95.56%
CHEMBL221	P23219	Cyclooxygenase-1	80.39%	90.17%

Plants that contains it

• Andrographis paniculata
• Ayapana amygdalina
• Citrus medica
• Daucus carota
• Dumortiera hirsuta
• Erigeron philadelphicus
• Geigeria burkei
• Geigeria rigida
• Grindelia hirsutula
• Helichrysum mimetes
• Juniperus rigida
• Larix gmelinii var. gmelinii
• Molopospermum peloponnesiacum
• Picea rubens
• Pimpinella major
• Pinus sibirica
• Piptolepis leptospermoides
• Rugelia nudicaulis
• Senecio subrubriflorus
• Seriphidium herba-alba
• Stevia ovata
• Symphyopappus reticulatus

Cross-Links

• PubChem: 62346
• LOTUS: LTS0109697
• wikiData: Q27121553