7,11-Dimethyl-3-methylidenetridec-1-ene

Details

• Internal ID: 53c74c4f-b40f-41d3-a314-cf970cf06f60
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 7,11-dimethyl-3-methylidenetridec-1-ene
• SMILES (Canonical): CCC(C)CCCC(C)CCCC(=C)C=C
• SMILES (Isomeric): CCC(C)CCCC(C)CCCC(=C)C=C
• InChI: InChI=1S/C16H30/c1-6-14(3)10-8-12-16(5)13-9-11-15(4)7-2/h6,15-16H,1,3,7-13H2,2,4-5H3
• InChI Key: KZBLNKVBZIRWHN-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₃₀
• Molecular Weight: 222.41 g/mol
• Exact Mass: 222.234750957 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 7.70

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
CHEMBL2581	P07339	Cathepsin D	89.79%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.28%	96.09%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	87.43%	83.57%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.37%	97.25%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.14%	99.17%
CHEMBL2885	P07451	Carbonic anhydrase III	84.58%	87.45%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	83.97%	96.47%
CHEMBL203	P00533	Epidermal growth factor receptor erbB1	83.50%	97.34%
CHEMBL3359	P21462	Formyl peptide receptor 1	82.48%	93.56%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	81.69%	97.29%

Plants that contains it

• Erigeron canadensis

Cross-Links

• PubChem: 162992827
• LOTUS: LTS0080527
• wikiData: Q105148071