3-(4-Hydroxy-3,5-dimethoxyphenyl)propanal

Details

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Internal ID f819ad3e-402d-4d49-8e45-5281a173c2e5
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name 3-(4-hydroxy-3,5-dimethoxyphenyl)propanal
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h5-7,13H,3-4H2,1-2H3
InChI Key DPEYEJOFAHQWJI-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C11H14O4
Molecular Weight 210.23 g/mol
Exact Mass 210.08920892 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 1.20

Synonyms

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80638-49-9
DTXSID70336202
RefChem:493119
DTXCID80287291
882-338-6
Propanal, 3-(4-hydroxy-3,5-dimethoxyphenyl)
Benzenepropanal, 4-hydroxy-3,5-dimethoxy-
3-(4-HYDROXY-3,5-DIMETHOXY-PHENYL)-PROPIONALDEHYDE
Benzenepropanal,4-hydroxy-3,5-dimethoxy-
SCHEMBL15238542
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-3,5-dimethoxyphenyl)propanal

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 96.40% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.48% 96.09%
CHEMBL2581 P07339 Cathepsin D 92.03% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.38% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.29% 86.33%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 88.44% 98.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.66% 95.56%
CHEMBL4208 P20618 Proteasome component C5 84.78% 90.00%
CHEMBL3401 O75469 Pregnane X receptor 84.39% 94.73%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.02% 96.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 82.30% 85.14%
CHEMBL1255126 O15151 Protein Mdm4 81.90% 90.20%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.65% 92.62%

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.
Sorbus aucuparia

Cross-Links

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PubChem 529898
LOTUS LTS0172850
wikiData Q82103135