(5E,9E)-6,10,14-trimethylpentadeca-5,9-diene-2,13-dione

Details

• Internal ID: 1cc71d1f-bae2-4f69-9144-147967bd6123
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (5E,9E)-6,10,14-trimethylpentadeca-5,9-diene-2,13-dione
• SMILES (Canonical): CC(C)C(=O)CCC(=CCCC(=CCCC(=O)C)C)C
• SMILES (Isomeric): CC(C)C(=O)CC/C(=C/CC/C(=C/CCC(=O)C)/C)/C
• InChI: InChI=1S/C18H30O2/c1-14(2)18(20)13-12-16(4)9-6-8-15(3)10-7-11-17(5)19/h9-10,14H,6-8,11-13H2,1-5H3/b15-10+,16-9+
• InChI Key: PSKPVVULUXBPSS-BXIATTARSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₃₀O₂
• Molecular Weight: 278.40 g/mol
• Exact Mass: 278.224580195 g/mol
• Topological Polar Surface Area (TPSA): 34.10 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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.35%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.28%	99.17%
CHEMBL2581	P07339	Cathepsin D	84.88%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	84.82%	94.73%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.64%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	83.41%	97.25%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	82.97%	96.47%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	82.46%	89.34%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	80.40%	100.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 11087116
• LOTUS: LTS0097198
• wikiData: Q105214232