5-[1-(3-Hy droxyphenyl)-2-propenyl]-2,4-dimethoxyphenol

Details

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Internal ID bb41bd61-dcc1-4d5b-9c17-c6fe01b68d12
Taxonomy Benzenoids > Benzene and substituted derivatives > Diphenylmethanes
IUPAC Name 5-[1-(3-hydroxyphenyl)prop-2-enyl]-2,4-dimethoxyphenol
SMILES (Canonical) COC1=CC(=C(C=C1C(C=C)C2=CC(=CC=C2)O)O)OC
SMILES (Isomeric) COC1=CC(=C(C=C1C(C=C)C2=CC(=CC=C2)O)O)OC
InChI InChI=1S/C17H18O4/c1-4-13(11-6-5-7-12(18)8-11)14-9-15(19)17(21-3)10-16(14)20-2/h4-10,13,18-19H,1H2,2-3H3
InChI Key QPMNRZAZYQAWCN-UHFFFAOYSA-N
Popularity 1 reference 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) 58.90 Ų
XlogP 3.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-[1-(3-Hy droxyphenyl)-2-propenyl]-2,4-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 96.52% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.89% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.32% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.85% 86.33%
CHEMBL2581 P07339 Cathepsin D 91.28% 98.95%
CHEMBL2535 P11166 Glucose transporter 90.73% 98.75%
CHEMBL1255126 O15151 Protein Mdm4 88.15% 90.20%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.74% 99.17%
CHEMBL1907 P15144 Aminopeptidase N 86.23% 93.31%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 85.85% 89.62%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.51% 94.45%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 84.02% 100.00%
CHEMBL4208 P20618 Proteasome component C5 82.70% 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.
Dalbergia cultrata

Cross-Links

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PubChem 74977396
LOTUS LTS0224070
wikiData Q105225493