(2Z,6Z,10Z)-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one

Details

• Internal ID: eb220add-c01f-4dfc-9810-bab5e6429f9c
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (2Z,6Z,10Z)-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
• InChI: InChI=1S/C15H22O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h7-9,11H,5-6,10H2,1-4H3/b11-9-,12-8-,13-7-
• InChI Key: GIHNTRQPEMKFKO-HQCVNHCJSA-N
• Popularity: 13 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂O
• Molecular Weight: 218.33 g/mol
• Exact Mass: 218.167065321 g/mol
• Topological Polar Surface Area (TPSA): 17.10 Ų
• XlogP: 3.90

Synonyms

• 2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
• (2E,6E,10E)-2,6,9,9-Tetramethylcycloundeca-2,6,10-trienone
• MFCD03700769
• DA-79089

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.85%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.23%	91.11%
CHEMBL3192	Q9BY41	Histone deacetylase 8	89.47%	93.99%
CHEMBL1937	Q92769	Histone deacetylase 2	86.68%	94.75%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	86.17%	93.40%
CHEMBL2581	P07339	Cathepsin D	85.99%	98.95%
CHEMBL1871	P10275	Androgen Receptor	82.67%	96.43%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	80.30%	96.77%

Plants that contains it

• Asteriscus graveolens

Cross-Links

• PubChem: 5353004
• LOTUS: LTS0084812
• wikiData: Q105008984