(1S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene

Details

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Internal ID 690724ee-ead4-45e1-95ac-003b56b807c8
Taxonomy Alkaloids and derivatives > Lupin alkaloids > Sparteine, lupanine, and related alkaloids
IUPAC Name (1S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene
SMILES (Canonical) C1CCN2CC3CC(C2C1)CN4C3=CCCC4
SMILES (Isomeric) C1CCN2C[C@@H]3C[C@@H]([C@@H]2C1)CN4C3=CCCC4
InChI InChI=1S/C15H24N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h5,12-13,15H,1-4,6-11H2/t12-,13+,15-/m0/s1
InChI Key YIHBNZCJQJSZJP-GUTXKFCHSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24N2
Molecular Weight 232.36 g/mol
Exact Mass 232.193948774 g/mol
Topological Polar Surface Area (TPSA) 6.50 Ų
XlogP 2.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (1S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene

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
CHEMBL3137262 O60341 LSD1/CoREST complex 92.07% 97.09%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 91.88% 93.40%
CHEMBL253 P34972 Cannabinoid CB2 receptor 88.36% 97.25%
CHEMBL241 Q14432 Phosphodiesterase 3A 87.98% 92.94%
CHEMBL2581 P07339 Cathepsin D 87.29% 98.95%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.62% 93.56%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 85.83% 90.24%
CHEMBL238 Q01959 Dopamine transporter 85.67% 95.88%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.00% 95.89%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 84.93% 98.33%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 84.80% 93.04%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.33% 96.09%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 83.78% 91.81%
CHEMBL3023 Q9NRA0 Sphingosine kinase 2 82.70% 95.61%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 82.66% 94.78%
CHEMBL4777 P25929 Neuropeptide Y receptor type 1 82.54% 96.67%
CHEMBL5203 P33316 dUTP pyrophosphatase 82.08% 99.18%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 81.58% 82.69%
CHEMBL4235 P28845 11-beta-hydroxysteroid dehydrogenase 1 81.38% 97.98%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.98% 95.56%

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.
Lupinus excubitus

Cross-Links

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PubChem 162916756
LOTUS LTS0172180
wikiData Q105348834