Dehydroammodendrine

Details

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Internal ID 4d4d1887-f4f0-4add-ad37-9229539483ce
Taxonomy Organoheterocyclic compounds > Pyridines and derivatives > Hydropyridines > Tetrahydropyridines
IUPAC Name 1-[5-(2,3,4,5-tetrahydropyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone
SMILES (Canonical) CC(=O)N1CCCC(=C1)C2CCCC=N2
SMILES (Isomeric) CC(=O)N1CCCC(=C1)C2CCCC=N2
InChI InChI=1S/C12H18N2O/c1-10(15)14-8-4-5-11(9-14)12-6-2-3-7-13-12/h7,9,12H,2-6,8H2,1H3
InChI Key QNIAXHGFFZVMHW-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C12H18N2O
Molecular Weight 206.28 g/mol
Exact Mass 206.141913202 g/mol
Topological Polar Surface Area (TPSA) 32.70 Ų
XlogP -0.10

Synonyms

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QNIAXHGFFZVMHW-UHFFFAOYSA-N

2D Structure

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2D Structure of Dehydroammodendrine

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.71% 96.09%
CHEMBL2581 P07339 Cathepsin D 90.43% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.86% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 84.39% 85.14%
CHEMBL253 P34972 Cannabinoid CB2 receptor 83.80% 97.25%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.96% 99.23%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.34% 94.45%

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.
Retama monosperma
Sakoanala villosa

Cross-Links

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PubChem 91747724
LOTUS LTS0127533
wikiData Q104375616