5-[2-(3-Hydroxy-4-methoxyphenyl)ethyl]-2,3-dimethoxyphenol

Details

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Internal ID 08852fbe-64be-4a91-a13c-f921ebc9f846
Taxonomy Phenylpropanoids and polyketides > Stilbenes
IUPAC Name 5-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-2,3-dimethoxyphenol
SMILES (Canonical) COC1=C(C=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)O)O
SMILES (Isomeric) COC1=C(C=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)O)O
InChI InChI=1S/C17H20O5/c1-20-15-7-6-11(8-13(15)18)4-5-12-9-14(19)17(22-3)16(10-12)21-2/h6-10,18-19H,4-5H2,1-3H3
InChI Key BETOGTZTMXFWKW-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H20O5
Molecular Weight 304.34 g/mol
Exact Mass 304.13107373 g/mol
Topological Polar Surface Area (TPSA) 68.20 Ų
XlogP 3.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-[2-(3-Hydroxy-4-methoxyphenyl)ethyl]-2,3-dimethoxyphenol

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 96.62% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.06% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.22% 99.17%
CHEMBL1255126 O15151 Protein Mdm4 90.32% 90.20%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 89.86% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.75% 86.33%
CHEMBL2581 P07339 Cathepsin D 89.67% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.00% 94.00%
CHEMBL2535 P11166 Glucose transporter 87.95% 98.75%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 87.91% 92.68%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 86.71% 86.92%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.33% 94.45%
CHEMBL4208 P20618 Proteasome component C5 84.09% 90.00%

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 caffrum

Cross-Links

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PubChem 11722558
LOTUS LTS0121999
wikiData Q104933547