5-(2-Hydroxybutylidene)-4-methoxy-6-methylidenepyran-2-one

Details

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Internal ID 67cf44da-25f9-4aa5-a842-a5868f3bee50
Taxonomy Organoheterocyclic compounds > Pyrans > Pyranones and derivatives
IUPAC Name 5-(2-hydroxybutylidene)-4-methoxy-6-methylidenepyran-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H14O4/c1-4-8(12)5-9-7(2)15-11(13)6-10(9)14-3/h5-6,8,12H,2,4H2,1,3H3
InChI Key KAZFYABALURVIB-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C11H14O4
Molecular Weight 210.23 g/mol
Exact Mass 210.08920892 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 0.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-(2-Hydroxybutylidene)-4-methoxy-6-methylidenepyran-2-one

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 96.13% 91.11%
CHEMBL2581 P07339 Cathepsin D 95.70% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.15% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.06% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.59% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.21% 99.17%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.99% 94.45%
CHEMBL1255126 O15151 Protein Mdm4 88.67% 90.20%
CHEMBL3401 O75469 Pregnane X receptor 87.01% 94.73%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.87% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.40% 96.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.92% 94.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.89% 90.71%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 81.31% 97.21%
CHEMBL2413 P32246 C-C chemokine receptor type 1 80.31% 89.50%

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 163066311
LOTUS LTS0024899
wikiData Q104170088