Fusarilactone B

Details

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Internal ID 35734b38-8e29-45ee-8876-3ed0b26540e5
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aryl ketones > Aryl alkyl ketones
IUPAC Name (2-acetyl-4-methoxy-6-oxopyran-3-yl)methyl acetate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H12O6/c1-6(12)11-8(5-16-7(2)13)9(15-3)4-10(14)17-11/h4H,5H2,1-3H3
InChI Key XPYPYEUMFMEITF-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C11H12O6
Molecular Weight 240.21 g/mol
Exact Mass 240.06338810 g/mol
Topological Polar Surface Area (TPSA) 78.90 Ų
XlogP -0.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Fusarilactone B

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.09% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 94.33% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.26% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.57% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.43% 94.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.39% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.98% 86.33%
CHEMBL2581 P07339 Cathepsin D 89.52% 98.95%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 84.91% 96.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.06% 95.56%
CHEMBL2535 P11166 Glucose transporter 82.84% 98.75%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.65% 89.00%
CHEMBL1937 Q92769 Histone deacetylase 2 81.83% 94.75%
CHEMBL340 P08684 Cytochrome P450 3A4 81.01% 91.19%
CHEMBL3922 P50579 Methionine aminopeptidase 2 80.70% 97.28%

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 139584208
LOTUS LTS0183237
wikiData Q77280993