Cladosporiumin G

Details

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Internal ID e69f7840-fa84-4c0d-aa33-ae7af8e16e75
Taxonomy Organoheterocyclic compounds > Pyrrolines
IUPAC Name (3Z,5S)-3-[(E)-1,5-dihydroxyhex-2-enylidene]-5-propan-2-ylpyrrolidine-2,4-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C13H19NO4/c1-7(2)11-12(17)10(13(18)14-11)9(16)6-4-5-8(3)15/h4,6-8,11,15-16H,5H2,1-3H3,(H,14,18)/b6-4+,10-9-/t8?,11-/m0/s1
InChI Key RXFBQFXEFJVRCF-KQWUZRNWSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C13H19NO4
Molecular Weight 253.29 g/mol
Exact Mass 253.13140809 g/mol
Topological Polar Surface Area (TPSA) 86.60 Ų
XlogP 1.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Cladosporiumin G

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
CHEMBL2581 P07339 Cathepsin D 96.49% 98.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 93.26% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.19% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.43% 96.09%
CHEMBL1937 Q92769 Histone deacetylase 2 88.71% 94.75%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.68% 94.45%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 84.84% 89.34%
CHEMBL5103 Q969S8 Histone deacetylase 10 84.59% 90.08%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 84.19% 92.88%
CHEMBL221 P23219 Cyclooxygenase-1 83.08% 90.17%
CHEMBL253 P34972 Cannabinoid CB2 receptor 82.62% 97.25%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 81.92% 93.03%
CHEMBL213 P08588 Beta-1 adrenergic receptor 80.23% 95.56%

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 139590263
LOTUS LTS0227330
wikiData Q105246971