Phoyunbene D

Details

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Internal ID a80affce-4087-4d9e-940e-83b2acad6ef7
Taxonomy Phenylpropanoids and polyketides > Stilbenes
IUPAC Name 3-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-methoxyphenol
SMILES (Canonical) COC1=CC=CC(=C1OC)C=CC2=CC(=CC(=C2)OC)O
SMILES (Isomeric) COC1=CC=CC(=C1OC)/C=C/C2=CC(=CC(=C2)OC)O
InChI InChI=1S/C17H18O4/c1-19-15-10-12(9-14(18)11-15)7-8-13-5-4-6-16(20-2)17(13)21-3/h4-11,18H,1-3H3/b8-7+
InChI Key JTNSCGPJCOQOIF-BQYQJAHWSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C17H18O4
Molecular Weight 286.32 g/mol
Exact Mass 286.12050905 g/mol
Topological Polar Surface Area (TPSA) 47.90 Ų
XlogP 3.80

Synonyms

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CHEBI:66756
3-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-methoxyphenol
CHEMBL2012419
trans-3-Hydroxy-2',3',5-trimethoxystilbene
Q27135382

2D Structure

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2D Structure of Phoyunbene D

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 96.60% 95.56%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 96.30% 96.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.80% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.90% 86.33%
CHEMBL2535 P11166 Glucose transporter 92.46% 98.75%
CHEMBL2581 P07339 Cathepsin D 88.50% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.02% 96.09%
CHEMBL3194 P02766 Transthyretin 87.43% 90.71%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.83% 99.17%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 85.68% 100.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.51% 99.15%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 81.63% 91.71%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 81.18% 89.62%
CHEMBL3401 O75469 Pregnane X receptor 80.78% 94.73%
CHEMBL1907599 P05556 Integrin alpha-4/beta-1 80.62% 92.86%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.51% 94.45%

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.
Pholidota chinensis
Pholidota yunnanensis

Cross-Links

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PubChem 11601663
LOTUS LTS0060795
wikiData Q27135382