1-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidine-2,6-dione

Details

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Internal ID 0ba8a5ad-0b34-4174-9cd9-7a5641cd183f
Taxonomy Organoheterocyclic compounds > Quinolizines
IUPAC Name 1-[[(1R,9aS)-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+/m1/s1
InChI Key IFGFYNRAHYENJQ-OLZOCXBDSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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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

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There are no found synonyms.

2D Structure

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2D Structure of 1-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidine-2,6-dione

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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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

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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
Sophora tomentosa

Cross-Links

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PubChem 21681276
LOTUS LTS0123667
wikiData Q105112132