10-Undecen-2-one

Details

• Internal ID: 0c2cd03d-0a26-4bb3-b4f3-72b68bd2fece
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Ketones
• IUPAC Name: undec-10-en-2-one
• SMILES (Canonical): CC(=O)CCCCCCCC=C
• SMILES (Isomeric): CC(=O)CCCCCCCC=C
• InChI: InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h3H,1,4-10H2,2H3
• InChI Key: FJHNSGVMPSITEQ-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₂₀O
• Molecular Weight: 168.28 g/mol
• Exact Mass: 168.151415257 g/mol
• Topological Polar Surface Area (TPSA): 17.10 Ų
• XlogP: 3.70

Synonyms

• Undec-10-en-2-one
• 36219-73-5
• 86926W49Y2
• EINECS 252-924-0
• UNII-86926W49Y2
• SCHEMBL3112070
• FEMA NO. 4406
• DTXSID90189772
• CHEBI:169645
• 10-UNDECEN-2-ONE [FHFI]
• LMFA12000157
• Q27269721

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
CHEMBL3060	Q9Y345	Glycine transporter 2	93.32%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.25%	96.09%
CHEMBL1829	O15379	Histone deacetylase 3	92.97%	95.00%
CHEMBL2581	P07339	Cathepsin D	89.16%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.77%	91.11%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	85.61%	89.34%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	81.47%	94.33%

Plants that contains it

• Litsea elliptica
• Zingiber mioga

Cross-Links

• PubChem: 118928
• LOTUS: LTS0034144
• wikiData: Q27269721