2,4-Decadienoic acid piperidide

Details

Top
Internal ID dfb72c10-0672-4582-8598-55382f9fbbce
Taxonomy Organoheterocyclic compounds > Piperidines > N-acylpiperidines
IUPAC Name 1-piperidin-1-yldeca-2,4-dien-1-one
SMILES (Canonical) CCCCCC=CC=CC(=O)N1CCCCC1
SMILES (Isomeric) CCCCCC=CC=CC(=O)N1CCCCC1
InChI InChI=1S/C15H25NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h6-7,9,12H,2-5,8,10-11,13-14H2,1H3
InChI Key ZPSGREUUQGTKDE-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

Top
Molecular Formula C15H25NO
Molecular Weight 235.36 g/mol
Exact Mass 235.193614421 g/mol
Topological Polar Surface Area (TPSA) 20.30 Ų
XlogP 4.10

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 2,4-Decadienoic acid piperidide

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL230 P35354 Cyclooxygenase-2 98.08% 89.63%
CHEMBL2581 P07339 Cathepsin D 96.09% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.61% 96.09%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 93.02% 91.81%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 89.73% 92.86%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 87.29% 100.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.27% 99.17%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 84.98% 95.50%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 82.70% 94.33%
CHEMBL3105 P09874 Poly [ADP-ribose] polymerase-1 81.60% 93.90%
CHEMBL1781 P11387 DNA topoisomerase I 81.20% 97.00%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 81.01% 90.24%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 80.52% 92.08%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.26% 93.56%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Achillea falcata
Achillea millefolium
Artemisia dracunculus
Piper nigrum
Piper tuberculatum

Cross-Links

Top
PubChem 73816694
LOTUS LTS0110933
wikiData Q105381158