2,6-Piperidinedione, 1-[(octahydro-2H-quinolizin-1-yl)methyl]-, (1R-cis)-

Details

Top
Internal ID fc6948b5-352d-4504-9681-dd6589d093cb
Taxonomy Organoheterocyclic compounds > Quinolizines
IUPAC Name 1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidine-2,6-dione
SMILES (Canonical) C1CCN2CCCC(C2C1)CN3C(=O)CCCC3=O
SMILES (Isomeric) C1CCN2CCC[C@H]([C@H]2C1)CN3C(=O)CCCC3=O
InChI InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13+/m0/s1
InChI Key IFGFYNRAHYENJQ-QWHCGFSZSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C15H24N2O2
Molecular Weight 264.36 g/mol
Exact Mass 264.183778013 g/mol
Topological Polar Surface Area (TPSA) 40.60 Ų
XlogP 1.20

Synonyms

Top
2,6-Piperidinedione, 1-[(octahydro-2H-quinolizin-1-yl)methyl]-, (1R-cis)-
IFGFYNRAHYENJQ-QWHCGFSZSA-N
1-(Octahydro-2H-quinolizin-1-ylmethyl)-2,6-piperidinedione #

2D Structure

Top
2D Structure of 2,6-Piperidinedione, 1-[(octahydro-2H-quinolizin-1-yl)methyl]-, (1R-cis)-

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
CHEMBL2581 P07339 Cathepsin D 95.67% 98.95%
CHEMBL1978 P11511 Cytochrome P450 19A1 92.82% 91.76%
CHEMBL253 P34972 Cannabinoid CB2 receptor 92.12% 97.25%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 87.76% 93.04%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.72% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.98% 97.09%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 83.29% 98.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.84% 95.56%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 82.76% 83.57%
CHEMBL5255 O00206 Toll-like receptor 4 82.22% 92.50%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 82.13% 94.78%
CHEMBL3922 P50579 Methionine aminopeptidase 2 81.38% 97.28%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 80.90% 93.03%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.57% 90.71%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.38% 95.89%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 80.23% 95.50%

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.
Sophora chrysophylla

Cross-Links

Top
PubChem 91715880
LOTUS LTS0185556
wikiData Q105112133