3-[2-(3-Hydroxy-5-methoxyphenyl)ethenyl]benzene-1,2-diol

Details

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Internal ID d34b981a-d495-473b-9bbf-6bc981b2d953
Taxonomy Phenylpropanoids and polyketides > Stilbenes
IUPAC Name 3-[2-(3-hydroxy-5-methoxyphenyl)ethenyl]benzene-1,2-diol
SMILES (Canonical) COC1=CC(=CC(=C1)O)C=CC2=C(C(=CC=C2)O)O
SMILES (Isomeric) COC1=CC(=CC(=C1)O)C=CC2=C(C(=CC=C2)O)O
InChI InChI=1S/C15H14O4/c1-19-13-8-10(7-12(16)9-13)5-6-11-3-2-4-14(17)15(11)18/h2-9,16-18H,1H3
InChI Key FLVGCCAMNYCNKH-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H14O4
Molecular Weight 258.27 g/mol
Exact Mass 258.08920892 g/mol
Topological Polar Surface Area (TPSA) 69.90 Ų
XlogP 3.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 3-[2-(3-Hydroxy-5-methoxyphenyl)ethenyl]benzene-1,2-diol

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 96.12% 95.56%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 93.52% 96.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.29% 86.33%
CHEMBL2581 P07339 Cathepsin D 91.65% 98.95%
CHEMBL3194 P02766 Transthyretin 91.11% 90.71%
CHEMBL3401 O75469 Pregnane X receptor 90.35% 94.73%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.99% 99.15%
CHEMBL1929 P47989 Xanthine dehydrogenase 87.33% 96.12%
CHEMBL3192 Q9BY41 Histone deacetylase 8 86.44% 93.99%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 86.04% 100.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.90% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.34% 96.09%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 81.89% 92.68%
CHEMBL2535 P11166 Glucose transporter 81.76% 98.75%

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

Cross-Links

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PubChem 73316039
LOTUS LTS0270961
wikiData Q104997547