2-Ethyl-3-propyl-11-azatricyclo[5.3.1.04,11]undeca-1,3-diene

Details

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Internal ID 5f0f6c0b-9c7d-418a-ba60-9531fab7e0e0
Taxonomy Organoheterocyclic compounds > Pyrrolizines
IUPAC Name 2-ethyl-3-propyl-11-azatricyclo[5.3.1.04,11]undeca-1,3-diene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H23N/c1-3-6-13-12(4-2)14-8-5-7-11-9-10-15(13)16(11)14/h11H,3-10H2,1-2H3
InChI Key AAILVETVJINXCS-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C15H23N
Molecular Weight 217.35 g/mol
Exact Mass 217.183049738 g/mol
Topological Polar Surface Area (TPSA) 4.90 Ų
XlogP 4.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-Ethyl-3-propyl-11-azatricyclo[5.3.1.04,11]undeca-1,3-diene

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
CHEMBL253 P34972 Cannabinoid CB2 receptor 97.83% 97.25%
CHEMBL2581 P07339 Cathepsin D 94.46% 98.95%
CHEMBL230 P35354 Cyclooxygenase-2 90.56% 89.63%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.77% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.66% 97.09%
CHEMBL3155 P34969 Serotonin 7 (5-HT7) receptor 87.80% 90.71%
CHEMBL5805 Q9NR97 Toll-like receptor 8 87.22% 96.25%
CHEMBL4005 P42336 PI3-kinase p110-alpha subunit 85.05% 97.47%
CHEMBL4660 P28907 Lymphocyte differentiation antigen CD38 84.39% 95.27%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 84.19% 89.62%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 83.50% 100.00%
CHEMBL5203 P33316 dUTP pyrophosphatase 83.34% 99.18%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 82.86% 90.24%
CHEMBL4835 P00338 L-lactate dehydrogenase A chain 81.94% 95.34%
CHEMBL3004 P33527 Multidrug resistance-associated protein 1 81.12% 96.37%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.02% 95.89%
CHEMBL3430907 Q96GD4 Aurora kinase B/Inner centromere protein 80.95% 97.50%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 10822656
LOTUS LTS0075958
wikiData Q104375009