5-[2-(4-Hydroxy-phenyl)-ethyl]-2,3-dimethoxy-phenol

Details

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Internal ID 518a154e-2aee-4f2c-b608-ba663727a8cc
Taxonomy Phenylpropanoids and polyketides > Stilbenes
IUPAC Name 5-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethoxyphenol
SMILES (Canonical) COC1=CC(=CC(=C1OC)O)CCC2=CC=C(C=C2)O
SMILES (Isomeric) COC1=CC(=CC(=C1OC)O)CCC2=CC=C(C=C2)O
InChI InChI=1S/C16H18O4/c1-19-15-10-12(9-14(18)16(15)20-2)4-3-11-5-7-13(17)8-6-11/h5-10,17-18H,3-4H2,1-2H3
InChI Key ITWQAPOXXSJIAS-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C16H18O4
Molecular Weight 274.31 g/mol
Exact Mass 274.12050905 g/mol
Topological Polar Surface Area (TPSA) 58.90 Ų
XlogP 3.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-[2-(4-Hydroxy-phenyl)-ethyl]-2,3-dimethoxy-phenol

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.94% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.36% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.31% 99.17%
CHEMBL2581 P07339 Cathepsin D 90.78% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.30% 86.33%
CHEMBL2535 P11166 Glucose transporter 89.88% 98.75%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 89.08% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.74% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.55% 94.00%
CHEMBL1255126 O15151 Protein Mdm4 86.99% 90.20%
CHEMBL4208 P20618 Proteasome component C5 86.11% 90.00%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 85.53% 95.89%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 85.35% 96.95%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 84.31% 92.68%
CHEMBL3194 P02766 Transthyretin 82.15% 90.71%
CHEMBL3192 Q9BY41 Histone deacetylase 8 80.69% 93.99%

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.
Combretum apiculatum
Combretum molle
Combretum psidioides

Cross-Links

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PubChem 22753767
LOTUS LTS0196984
wikiData Q105120335