4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]-2-methoxyphenol

Details

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Internal ID a9fa96ae-8754-4356-8540-66f35fda05da
Taxonomy Phenylpropanoids and polyketides > Stilbenes
IUPAC Name 4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]-2-methoxyphenol
SMILES (Canonical) COC1=CC(=CC(=C1)O)C=CC2=CC(=C(C=C2)O)OC
SMILES (Isomeric) COC1=CC(=CC(=C1)O)/C=C/C2=CC(=C(C=C2)O)OC
InChI InChI=1S/C16H16O4/c1-19-14-8-12(7-13(17)10-14)4-3-11-5-6-15(18)16(9-11)20-2/h3-10,17-18H,1-2H3/b4-3+
InChI Key IVHNUUPSBKWBDI-ONEGZZNKSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C16H16O4
Molecular Weight 272.29 g/mol
Exact Mass 272.10485899 g/mol
Topological Polar Surface Area (TPSA) 58.90 Ų
XlogP 3.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]-2-methoxyphenol

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 98.14% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.43% 95.56%
CHEMBL3194 P02766 Transthyretin 95.29% 90.71%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 93.43% 96.00%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 92.09% 92.68%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.15% 86.33%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 90.49% 99.15%
CHEMBL1929 P47989 Xanthine dehydrogenase 89.89% 96.12%
CHEMBL4208 P20618 Proteasome component C5 87.24% 90.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.73% 96.09%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 85.75% 89.62%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.91% 99.17%
CHEMBL2535 P11166 Glucose transporter 82.49% 98.75%
CHEMBL3401 O75469 Pregnane X receptor 82.33% 94.73%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.98% 89.00%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 80.52% 100.00%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 80.34% 80.78%

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.
Schizocarphus nervosus
Senna didymobotrya

Cross-Links

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PubChem 15698947
LOTUS LTS0193513
wikiData Q105121051