Louisianin D

Details

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Internal ID 52cafda9-a7e9-416e-acb3-47f91945f374
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aryl ketones > Aryl alkyl ketones
IUPAC Name 4-[(E)-prop-1-enyl]-6,7-dihydrocyclopenta[c]pyridin-5-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H11NO/c1-2-3-8-6-12-7-9-4-5-10(13)11(8)9/h2-3,6-7H,4-5H2,1H3/b3-2+
InChI Key GPTPGVAFNHJJTP-NSCUHMNNSA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C11H11NO
Molecular Weight 173.21 g/mol
Exact Mass 173.084063974 g/mol
Topological Polar Surface Area (TPSA) 30.00 Ų
XlogP 1.60

Synonyms

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4-[(E)-Prop-1-enyl]-6,7-dihydrocyclopenta[c]pyridin-5-one

2D Structure

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2D Structure of Louisianin D

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
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 93.18% 85.30%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.36% 86.33%
CHEMBL1951 P21397 Monoamine oxidase A 88.31% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.79% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.65% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.42% 99.23%
CHEMBL2039 P27338 Monoamine oxidase B 85.18% 92.51%
CHEMBL230 P35354 Cyclooxygenase-2 84.20% 89.63%
CHEMBL1907 P15144 Aminopeptidase N 83.47% 93.31%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 83.43% 89.34%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 82.79% 93.40%
CHEMBL2581 P07339 Cathepsin D 82.50% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.40% 96.09%
CHEMBL4829 O00763 Acetyl-CoA carboxylase 2 81.30% 98.00%
CHEMBL1937 Q92769 Histone deacetylase 2 80.78% 94.75%
CHEMBL1841 P06241 Tyrosine-protein kinase FYN 80.58% 81.29%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.56% 94.45%

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 10130186
LOTUS LTS0081339
wikiData Q75067626