11-But-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-8,10-dione

Details

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Internal ID 7e0aba33-4586-47bb-adbc-f1ee80fdc203
Taxonomy Organoheterocyclic compounds > Quinolizidines > Quinolizidinones
IUPAC Name 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-8,10-dione
SMILES (Canonical) C=CCCN1CC2CC(C1=O)C(=O)N3C2CCCC3
SMILES (Isomeric) C=CCCN1CC2CC(C1=O)C(=O)N3C2CCCC3
InChI InChI=1S/C15H22N2O2/c1-2-3-7-16-10-11-9-12(14(16)18)15(19)17-8-5-4-6-13(11)17/h2,11-13H,1,3-10H2
InChI Key IFSYEEHQUSCGTN-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H22N2O2
Molecular Weight 262.35 g/mol
Exact Mass 262.168127949 g/mol
Topological Polar Surface Area (TPSA) 40.60 Ų
XlogP 1.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 11-But-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-8,10-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
CHEMBL253 P34972 Cannabinoid CB2 receptor 95.76% 97.25%
CHEMBL1902 P62942 FK506-binding protein 1A 95.03% 97.05%
CHEMBL2581 P07339 Cathepsin D 94.45% 98.95%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 93.36% 83.57%
CHEMBL228 P31645 Serotonin transporter 92.66% 95.51%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 91.41% 93.00%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 91.27% 95.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.98% 96.09%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 90.86% 94.78%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.41% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.35% 97.09%
CHEMBL1978 P11511 Cytochrome P450 19A1 87.81% 91.76%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 87.66% 93.40%
CHEMBL4235 P28845 11-beta-hydroxysteroid dehydrogenase 1 87.57% 97.98%
CHEMBL238 Q01959 Dopamine transporter 87.22% 95.88%
CHEMBL2730 P21980 Protein-glutamine gamma-glutamyltransferase 86.74% 92.38%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 86.00% 86.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.30% 95.89%
CHEMBL5103 Q969S8 Histone deacetylase 10 84.77% 90.08%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 84.47% 95.50%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 83.53% 98.33%
CHEMBL264 Q9Y5N1 Histamine H3 receptor 82.66% 91.43%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 81.94% 93.03%
CHEMBL226 P30542 Adenosine A1 receptor 81.91% 95.93%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 81.82% 90.24%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 81.56% 82.69%
CHEMBL1871 P10275 Androgen Receptor 80.69% 96.43%
CHEMBL2693 Q9UIQ6 Cystinyl aminopeptidase 80.55% 97.64%

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.
Ormosia coutinhoi

Cross-Links

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PubChem 162848981
LOTUS LTS0257477
wikiData Q105112370