3-(4-Hydroxy-2-methoxyphenyl)-2-propenal

Details

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Internal ID d6dbda2b-e057-4f5f-9cad-4393ba334395
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name (E)-3-(4-hydroxy-2-methoxyphenyl)prop-2-enal
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H10O3/c1-13-10-7-9(12)5-4-8(10)3-2-6-11/h2-7,12H,1H3/b3-2+
InChI Key MRCGVXARHKOYKU-NSCUHMNNSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C10H10O3
Molecular Weight 178.18 g/mol
Exact Mass 178.062994177 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 1.40

Synonyms

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3-(4-Hydroxy-2-methoxyphenyl)-2-propenal
(E)-3-(4-hydroxy-2-methoxyphenyl)prop-2-enal
SCHEMBL1682630
CHEBI:189757
MRCGVXARHKOYKU-NSCUHMNNSA-N
3-(4-hydroxy-2-methoxyphenyl)prop-2-enal
EN300-1842507
(2E)-3-(4-Hydroxy-2-methoxyphenyl)-2-propenal
(2E)-3-(4-hydroxy-2-methoxyphenyl)prop-2-enal
(2E)-3-(4-Hydroxy-2-methoxyphenyl)-2-propenal #
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 3-(4-Hydroxy-2-methoxyphenyl)-2-propenal

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 95.79% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.11% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.81% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.42% 86.33%
CHEMBL3194 P02766 Transthyretin 91.43% 90.71%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 89.20% 96.00%
CHEMBL4208 P20618 Proteasome component C5 87.94% 90.00%
CHEMBL2581 P07339 Cathepsin D 86.38% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.09% 99.17%
CHEMBL2535 P11166 Glucose transporter 84.35% 98.75%
CHEMBL3714130 P46095 G-protein coupled receptor 6 83.43% 97.36%
CHEMBL3401 O75469 Pregnane X receptor 82.79% 94.73%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.55% 94.45%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 82.01% 95.89%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 80.46% 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.
Vanilla planifolia

Cross-Links

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PubChem 5374604
LOTUS LTS0137358
wikiData Q76305712