2-(4-Hydroxyphenyl)-5-prop-1-enyl-1-benzofuran-3-carbaldehyde

Details

Top
Internal ID 78156bf1-6872-4aa5-8bf7-7e887f742e7e
Taxonomy Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids
IUPAC Name 2-(4-hydroxyphenyl)-5-prop-1-enyl-1-benzofuran-3-carbaldehyde
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H14O3/c1-2-3-12-4-9-17-15(10-12)16(11-19)18(21-17)13-5-7-14(20)8-6-13/h2-11,20H,1H3
InChI Key ARTAZCYFMYXCAG-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C18H14O3
Molecular Weight 278.30 g/mol
Exact Mass 278.094294304 g/mol
Topological Polar Surface Area (TPSA) 50.40 Ų
XlogP 4.10

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 2-(4-Hydroxyphenyl)-5-prop-1-enyl-1-benzofuran-3-carbaldehyde

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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 97.84% 91.49%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.14% 95.56%
CHEMBL242 Q92731 Estrogen receptor beta 95.90% 98.35%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.53% 89.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.53% 91.11%
CHEMBL2581 P07339 Cathepsin D 93.30% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 91.58% 94.73%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 91.30% 98.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.66% 86.33%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 89.51% 91.71%
CHEMBL3194 P02766 Transthyretin 88.50% 90.71%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.51% 96.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.12% 94.45%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.23% 90.71%

Plants that contains it

Top
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.
Krameria erecta

Cross-Links

Top
PubChem 85747347
LOTUS LTS0183696
wikiData Q104917561