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GlyTouCan:G51956AX

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 aa04d220-393f-4422-baa2-6fc9da910ccf
Taxonomy Organoheterocyclic compounds > Azoles > Thiazoles > 2,4-disubstituted thiazoles
IUPAC Name (2E,4R,5S,6E)-3,5-dimethoxy-4-methyl-7-[2-[2-[(3E,5E)-7-methylocta-3,5-dien-2-yl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]hepta-2,6-dienamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C25H33N3O3S2/c1-16(2)9-7-8-10-17(3)24-28-20(15-33-24)25-27-19(14-32-25)11-12-21(30-5)18(4)22(31-6)13-23(26)29/h7-18,21H,1-6H3,(H2,26,29)/b9-7+,10-8+,12-11+,22-13+/t17?,18-,21+/m1/s1
InChI Key XKTFQMCPGMTBMD-YCSHSZEBSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C25H33N3O3S2
Molecular Weight 487.70 g/mol
Exact Mass 487.19633427 g/mol
Topological Polar Surface Area (TPSA) 144.00 Ų
XlogP 4.80

Synonyms

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(+)-myxothiazol
(2E,4R,5S,6E)-3,5-dimethoxy-4-methyl-7-{2'-[(2S,3E,5E)-7-methylocta-3,5-dien-2-yl]-2,4'-bi-1,3-thiazol-4-yl}hepta-2,6-dienamide
SCHEMBL4361094
CHEBI:25461
(2E,4R,5S,6E)-3,5-dimethoxy-4-methyl-7-[2-[2-[(3E,5E)-7-methylocta-3,5-dien-2-yl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]hepta-2,6-dienamide
Q6949371

2D Structure

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2D Structure of GlyTouCan:G51956AX

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 96.77% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.23% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.51% 91.11%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 94.03% 96.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 91.14% 95.50%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 89.96% 93.03%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 89.19% 87.67%
CHEMBL2581 P07339 Cathepsin D 89.13% 98.95%
CHEMBL2243 O00519 Anandamide amidohydrolase 88.54% 97.53%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.34% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.55% 99.17%
CHEMBL3401 O75469 Pregnane X receptor 87.23% 94.73%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.88% 99.23%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.62% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.61% 86.33%
CHEMBL1900 P15121 Aldose reductase 85.06% 92.38%
CHEMBL1868 P17948 Vascular endothelial growth factor receptor 1 82.96% 96.47%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 82.13% 100.00%
CHEMBL340 P08684 Cytochrome P450 3A4 81.55% 91.19%
CHEMBL2535 P11166 Glucose transporter 81.20% 98.75%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 81.06% 92.29%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 80.33% 85.30%

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 6437357
LOTUS LTS0180417
wikiData Q6949371