Parazoanthine E

Details

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Internal ID d97e8b1b-6b26-43f5-8e7d-e066452e8fa9
Taxonomy Organoheterocyclic compounds > Azolidines > Imidazolidines > Hydantoins
IUPAC Name 2-[(3Z)-3-[1-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-2,5-dioxoimidazolidin-4-ylidene]propyl]guanidine
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H18BrN5O3/c1-25-13-5-4-10(9-11(13)17)6-8-22-14(23)12(21-16(22)24)3-2-7-20-15(18)19/h3-6,8-9H,2,7H2,1H3,(H,21,24)(H4,18,19,20)/b8-6+,12-3-
InChI Key YKDCGWJGACMQJQ-YWDDNKEKSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C16H18BrN5O3
Molecular Weight 408.25 g/mol
Exact Mass 407.05930 g/mol
Topological Polar Surface Area (TPSA) 123.00 Ų
XlogP 1.00

Synonyms

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CHEMBL1078182

2D Structure

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2D Structure of Parazoanthine E

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
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 97.58% 94.45%
CHEMBL1293249 Q13887 Kruppel-like factor 5 97.39% 86.33%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.40% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.89% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.58% 96.09%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 91.96% 96.00%
CHEMBL2535 P11166 Glucose transporter 91.46% 98.75%
CHEMBL4208 P20618 Proteasome component C5 90.97% 90.00%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 90.67% 89.62%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.99% 95.89%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 86.45% 93.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.22% 93.99%
CHEMBL3922 P50579 Methionine aminopeptidase 2 85.12% 97.28%
CHEMBL1255126 O15151 Protein Mdm4 84.79% 90.20%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 84.34% 89.34%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 84.14% 90.71%
CHEMBL230 P35354 Cyclooxygenase-2 83.66% 89.63%
CHEMBL1937 Q92769 Histone deacetylase 2 82.69% 94.75%
CHEMBL2581 P07339 Cathepsin D 81.36% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.31% 99.17%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 81.06% 80.78%
CHEMBL4829 O00763 Acetyl-CoA carboxylase 2 80.30% 98.00%

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 44482324
LOTUS LTS0133575
wikiData Q105349605