4-[3-(4-Hydroxy-2-methoxyphenyl)propyl]-3-methoxyphenol

Details

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Internal ID 61046930-1eba-472d-aaef-36e449853c36
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Cinnamylphenols
IUPAC Name 4-[3-(4-hydroxy-2-methoxyphenyl)propyl]-3-methoxyphenol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H20O4/c1-20-16-10-14(18)8-6-12(16)4-3-5-13-7-9-15(19)11-17(13)21-2/h6-11,18-19H,3-5H2,1-2H3
InChI Key ZGGZBXFALFIMCG-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C17H20O4
Molecular Weight 288.34 g/mol
Exact Mass 288.13615911 g/mol
Topological Polar Surface Area (TPSA) 58.90 Ų
XlogP 3.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-[3-(4-Hydroxy-2-methoxyphenyl)propyl]-3-methoxyphenol

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.54% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.53% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.06% 86.33%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 91.97% 89.62%
CHEMBL2581 P07339 Cathepsin D 90.69% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.42% 99.17%
CHEMBL2535 P11166 Glucose transporter 85.06% 98.75%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 84.54% 95.89%
CHEMBL4208 P20618 Proteasome component C5 83.33% 90.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.08% 95.56%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 81.67% 96.95%

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.
Broussonetia papyrifera

Cross-Links

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PubChem 24121279
LOTUS LTS0056419
wikiData Q105375178