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

Details

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Internal ID b4279368-6046-4ee0-9bed-9d995bdb266b
Taxonomy Phenylpropanoids and polyketides > Stilbenes
IUPAC Name 4-[2-(3-hydroxy-5-methoxyphenyl)ethenyl]-2,3-dimethoxyphenol
SMILES (Canonical) COC1=CC(=CC(=C1)O)C=CC2=C(C(=C(C=C2)O)OC)OC
SMILES (Isomeric) COC1=CC(=CC(=C1)O)C=CC2=C(C(=C(C=C2)O)OC)OC
InChI InChI=1S/C17H18O5/c1-20-14-9-11(8-13(18)10-14)4-5-12-6-7-15(19)17(22-3)16(12)21-2/h4-10,18-19H,1-3H3
InChI Key VACLJIVMBBSOOR-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C17H18O5
Molecular Weight 302.32 g/mol
Exact Mass 302.11542367 g/mol
Topological Polar Surface Area (TPSA) 68.20 Ų
XlogP 3.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-[2-(3-Hydroxy-5-methoxyphenyl)ethenyl]-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.10% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.18% 95.56%
CHEMBL3194 P02766 Transthyretin 93.65% 90.71%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 93.52% 92.68%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 92.98% 99.15%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 92.97% 96.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.32% 86.33%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 84.92% 80.78%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.64% 99.17%
CHEMBL2581 P07339 Cathepsin D 84.59% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 84.56% 94.73%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.50% 96.09%
CHEMBL4208 P20618 Proteasome component C5 82.86% 90.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.04% 94.45%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 81.69% 91.71%
CHEMBL2535 P11166 Glucose transporter 81.23% 98.75%
CHEMBL242 Q92731 Estrogen receptor beta 80.88% 98.35%

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.
Coelogyne kouytcheensis

Cross-Links

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PubChem 73006688
LOTUS LTS0214172
wikiData Q105282627