2-(2-Hydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-carbaldehyde

Details

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Internal ID 7bbde686-af69-4e5a-8a04-a097f93b16cb
Taxonomy Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids
IUPAC Name 2-(2-hydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-carbaldehyde
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H14O5/c1-20-10-4-6-13(15(19)7-10)17-14(9-18)12-5-3-11(21-2)8-16(12)22-17/h3-9,19H,1-2H3
InChI Key JZMPSIUWTYKKET-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C17H14O5
Molecular Weight 298.29 g/mol
Exact Mass 298.08412354 g/mol
Topological Polar Surface Area (TPSA) 68.90 Ų
XlogP 3.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-(2-Hydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-carbaldehyde

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
CHEMBL1951 P21397 Monoamine oxidase A 99.61% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.85% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 98.37% 95.56%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 96.54% 98.11%
CHEMBL2581 P07339 Cathepsin D 92.88% 98.95%
CHEMBL242 Q92731 Estrogen receptor beta 92.58% 98.35%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 90.14% 99.15%
CHEMBL3194 P02766 Transthyretin 89.92% 90.71%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.48% 99.17%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.86% 94.00%
CHEMBL3401 O75469 Pregnane X receptor 87.34% 94.73%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.44% 89.00%
CHEMBL1907 P15144 Aminopeptidase N 86.03% 93.31%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 85.88% 80.78%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.63% 96.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.33% 86.33%
CHEMBL3492 P49721 Proteasome Macropain subunit 81.27% 90.24%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 80.41% 86.92%
CHEMBL2535 P11166 Glucose transporter 80.30% 98.75%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 5319354
LOTUS LTS0116035
wikiData Q105137472