(2E,4E,8Z)-1-piperidin-1-yldeca-2,4,8-trien-1-one

Details

• Internal ID: 906c29de-443b-4aa7-b24f-d8e23ad9e43f
• Taxonomy: Organoheterocyclic compounds > Piperidines > N-acylpiperidines
• IUPAC Name: (2E,4E,8Z)-1-piperidin-1-yldeca-2,4,8-trien-1-one
• SMILES (Canonical): CC=CCCC=CC=CC(=O)N1CCCCC1
• SMILES (Isomeric): C/C=C\CC/C=C/C=C/C(=O)N1CCCCC1
• InChI: InChI=1S/C15H23NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h2-3,6-7,9,12H,4-5,8,10-11,13-14H2,1H3/b3-2-,7-6+,12-9+
• InChI Key: KCDOVRRODRAKCG-AMJQMGDOSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₃NO
• Molecular Weight: 233.35 g/mol
• Exact Mass: 233.177964357 g/mol
• Topological Polar Surface Area (TPSA): 20.30 Ų
• XlogP: 3.30

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	95.93%	96.09%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	91.65%	83.57%
CHEMBL2581	P07339	Cathepsin D	88.20%	98.95%
CHEMBL2781	P19634	Sodium/hydrogen exchanger 1	85.01%	90.24%
CHEMBL3105	P09874	Poly [ADP-ribose] polymerase-1	84.18%	93.90%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	82.26%	95.50%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	80.97%	94.33%

Plants that contains it

• Achillea falcata
• Achillea millefolium

Cross-Links

• PubChem: 14427414
• LOTUS: LTS0061464
• wikiData: Q105138679