Lfdohnbsxgqbpq-hrcspuopsa-

Details

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Internal ID 7e3c4f0c-8ed1-4ba5-b2e5-af1dd7042f9e
Taxonomy Organoheterocyclic compounds > Pyrans > Pyranones and derivatives
IUPAC Name 6-[(1E,3E)-3,5-dimethylhexa-1,3-dienyl]-4-methoxy-3-methylpyran-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H20O3/c1-10(2)8-11(3)6-7-13-9-14(17-5)12(4)15(16)18-13/h6-10H,1-5H3/b7-6+,11-8+
InChI Key LFDOHNBSXGQBPQ-HRCSPUOPSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H20O3
Molecular Weight 248.32 g/mol
Exact Mass 248.14124450 g/mol
Topological Polar Surface Area (TPSA) 35.50 Ų
XlogP 3.90

Synonyms

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InChI=1/C15H20O3/c1-10(2)8-11(3)6-7-13-9-14(17-5)12(4)15(16)18-13/h6-10H,1-5H3/b7-6+,11-8+

2D Structure

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2D Structure of Lfdohnbsxgqbpq-hrcspuopsa-

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.32% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 93.75% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.47% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.59% 86.33%
CHEMBL2581 P07339 Cathepsin D 90.01% 98.95%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 89.36% 97.21%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.99% 89.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.60% 96.00%
CHEMBL3401 O75469 Pregnane X receptor 86.82% 94.73%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.18% 94.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.68% 99.17%
CHEMBL2535 P11166 Glucose transporter 84.17% 98.75%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 84.03% 95.50%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 82.33% 91.07%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.04% 90.71%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.31% 94.45%

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 14844710
LOTUS LTS0075357
wikiData Q105150963