4-Methoxy-6-[2-(4-methoxyphenyl)ethenyl]-2H-pyran-2-one

Details

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Internal ID f638ec8d-bf99-4f87-9441-dadcabce4621
Taxonomy Phenylpropanoids and polyketides > Kavalactones
IUPAC Name 4-methoxy-6-[2-(4-methoxyphenyl)ethenyl]pyran-2-one
SMILES (Canonical) COC1=CC=C(C=C1)C=CC2=CC(=CC(=O)O2)OC
SMILES (Isomeric) COC1=CC=C(C=C1)C=CC2=CC(=CC(=O)O2)OC
InChI InChI=1S/C15H14O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-10H,1-2H3
InChI Key XLHIYUYCSMZCCC-UHFFFAOYSA-N
Popularity 33 references in papers

Physical and Chemical Properties

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Molecular Formula C15H14O4
Molecular Weight 258.27 g/mol
Exact Mass 258.08920892 g/mol
Topological Polar Surface Area (TPSA) 44.80 Ų
XlogP 2.70

Synonyms

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4-Methoxy-6-[2-(4-methoxyphenyl)ethenyl]-2H-pyran-2-one
DTXSID40859418
NCI60_001788
FT-0675885
6-(4-methoxystyryl)-4-methoxy-2h-pyran-2-one
18693-06-6

2D Structure

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2D Structure of 4-Methoxy-6-[2-(4-methoxyphenyl)ethenyl]-2H-pyran-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 97.05% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.74% 95.56%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 95.16% 96.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.38% 86.33%
CHEMBL1907 P15144 Aminopeptidase N 87.57% 93.31%
CHEMBL4208 P20618 Proteasome component C5 87.45% 90.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 86.19% 93.99%
CHEMBL3401 O75469 Pregnane X receptor 83.22% 94.73%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.37% 94.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.85% 99.17%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.80% 94.45%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 80.73% 91.07%

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.
Piper methysticum

Cross-Links

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PubChem 10375
LOTUS LTS0065609
wikiData Q105329981