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Visoltricin

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID d55c4c26-3015-47a4-a9f6-fad44cd5808e
Taxonomy Organoheterocyclic compounds > Azoles > Imidazoles > Substituted imidazoles > Imidazolyl carboxylic acids and derivatives
IUPAC Name methyl (E)-3-[3-methyl-5-(3-methylbut-2-enyl)imidazol-4-yl]prop-2-enoate
SMILES (Canonical) CC(=CCC1=C(N(C=N1)C)C=CC(=O)OC)C
SMILES (Isomeric) CC(=CCC1=C(N(C=N1)C)/C=C/C(=O)OC)C
InChI InChI=1S/C13H18N2O2/c1-10(2)5-6-11-12(15(3)9-14-11)7-8-13(16)17-4/h5,7-9H,6H2,1-4H3/b8-7+
InChI Key LFPQYOYKAPGCGM-BQYQJAHWSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C13H18N2O2
Molecular Weight 234.29 g/mol
Exact Mass 234.136827821 g/mol
Topological Polar Surface Area (TPSA) 44.10 Ų
XlogP 2.30

Synonyms

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139874-44-5
NSC638260
methyl (E)-3-[3-methyl-5-(3-methylbut-2-enyl)imidazol-4-yl]prop-2-enoate
CHEMBL1990087
NSC-638260
3-(1-Methyl-4-(3-methyl-2-butenyl)imidazol-5-yl)-2-propenoic acid methyl ester
Methyl (E)-3-(1-methyl-4-(3-methyl-2-butenyl)-1H-imidazol-5-yl)-2-propenoate
Methyl 3-(1-methyl-4-(3-methyl-2-butenyl)-1H-imidazol-5-yl)acrylate
2-Propenoic acid, 3-(1-methyl-4-(3-methyl-2-butenyl)-1H-imidazol-5-yl)-, methyl ester, (E)-

2D Structure

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2D Structure of Visoltricin

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 97.56% 96.09%
CHEMBL4040 P28482 MAP kinase ERK2 95.12% 83.82%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.24% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 92.52% 96.00%
CHEMBL3401 O75469 Pregnane X receptor 89.23% 94.73%
CHEMBL2581 P07339 Cathepsin D 89.09% 98.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 87.23% 85.14%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.18% 99.17%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 85.11% 89.34%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.37% 94.45%
CHEMBL4208 P20618 Proteasome component C5 81.60% 90.00%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 81.28% 93.10%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 81.09% 96.90%
CHEMBL221 P23219 Cyclooxygenase-1 80.33% 90.17%

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.
There are no matching plants.

Cross-Links

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PubChem 5388713
LOTUS LTS0081141
wikiData Q77568324