3-[3-(4-Hydroxyphenyl)prop-2-enyl]-2,6-dimethoxyphenol

Details

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Internal ID 5575b0dd-158d-410d-951c-4ef95021e002
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Cinnamylphenols
IUPAC Name 3-[3-(4-hydroxyphenyl)prop-2-enyl]-2,6-dimethoxyphenol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H18O4/c1-20-15-11-8-13(17(21-2)16(15)19)5-3-4-12-6-9-14(18)10-7-12/h3-4,6-11,18-19H,5H2,1-2H3
InChI Key VWMLOOICTOCUDD-UHFFFAOYSA-N
Popularity 2 references 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 3-[3-(4-Hydroxyphenyl)prop-2-enyl]-2,6-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 95.88% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.64% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.27% 96.09%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 92.04% 96.00%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 91.46% 89.62%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.26% 99.17%
CHEMBL1255126 O15151 Protein Mdm4 88.42% 90.20%
CHEMBL3194 P02766 Transthyretin 87.51% 90.71%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.09% 95.56%
CHEMBL4208 P20618 Proteasome component C5 83.42% 90.00%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 83.31% 91.71%
CHEMBL242 Q92731 Estrogen receptor beta 82.97% 98.35%
CHEMBL3192 Q9BY41 Histone deacetylase 8 81.21% 93.99%

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 parviflora

Cross-Links

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PubChem 78072745
LOTUS LTS0078781
wikiData Q105298170