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

Details

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Internal ID 54308c3b-2c2d-450f-834f-54e0b430cb13
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Cinnamylphenols
IUPAC Name 4-[3-(2-hydroxyphenyl)prop-2-enyl]-2,3-dimethoxyphenol
SMILES (Canonical) COC1=C(C=CC(=C1OC)O)CC=CC2=CC=CC=C2O
SMILES (Isomeric) COC1=C(C=CC(=C1OC)O)CC=CC2=CC=CC=C2O
InChI InChI=1S/C17H18O4/c1-20-16-13(10-11-15(19)17(16)21-2)8-5-7-12-6-3-4-9-14(12)18/h3-7,9-11,18-19H,8H2,1-2H3
InChI Key RILHBXFGCQMXKV-UHFFFAOYSA-N
Popularity 0 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 4-[3-(2-Hydroxyphenyl)prop-2-enyl]-2,3-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 99.04% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.06% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.96% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.81% 96.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 86.54% 93.99%
CHEMBL2581 P07339 Cathepsin D 86.44% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.50% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.01% 99.17%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 81.48% 99.15%
CHEMBL3492 P49721 Proteasome Macropain subunit 81.45% 90.24%
CHEMBL3401 O75469 Pregnane X receptor 81.26% 94.73%
CHEMBL4208 P20618 Proteasome component C5 80.25% 90.00%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 80.23% 89.62%

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.
Machaerium mucronulatum

Cross-Links

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PubChem 162891517
LOTUS LTS0202063
wikiData Q105236945