2,6-dimethoxy-3-[(E)-3-phenylprop-2-enyl]phenol

Details

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Internal ID 91e1fbdc-2158-4ea9-8068-3ac2e6d0a48b
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Cinnamylphenols
IUPAC Name 2,6-dimethoxy-3-[(E)-3-phenylprop-2-enyl]phenol
SMILES (Canonical) COC1=C(C(=C(C=C1)CC=CC2=CC=CC=C2)OC)O
SMILES (Isomeric) COC1=C(C(=C(C=C1)C/C=C/C2=CC=CC=C2)OC)O
InChI InChI=1S/C17H18O3/c1-19-15-12-11-14(17(20-2)16(15)18)10-6-9-13-7-4-3-5-8-13/h3-9,11-12,18H,10H2,1-2H3/b9-6+
InChI Key NLIRIZDPMWYEPR-RMKNXTFCSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C17H18O3
Molecular Weight 270.32 g/mol
Exact Mass 270.125594432 g/mol
Topological Polar Surface Area (TPSA) 38.70 Ų
XlogP 4.10

Synonyms

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CHEMBL242359

2D Structure

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2D Structure of 2,6-dimethoxy-3-[(E)-3-phenylprop-2-enyl]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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.15% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 96.23% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 94.85% 96.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.50% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.21% 96.09%
CHEMBL1255126 O15151 Protein Mdm4 91.18% 90.20%
CHEMBL3192 Q9BY41 Histone deacetylase 8 88.76% 93.99%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.51% 99.17%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 86.25% 89.62%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 86.23% 95.50%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 84.37% 94.08%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 82.18% 94.62%
CHEMBL2581 P07339 Cathepsin D 81.86% 98.95%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 81.02% 91.71%

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 odorifera
Dalbergia parviflora

Cross-Links

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PubChem 10423261
LOTUS LTS0123635
wikiData Q105181357