3-(4-Hydroxyphenyl)propanal

Details

Top
Internal ID eafc75a9-e3ed-4c32-8914-8b6cf2e246b2
Taxonomy Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids
IUPAC Name 3-(4-hydroxyphenyl)propanal
SMILES (Canonical) C1=CC(=CC=C1CCC=O)O
SMILES (Isomeric) C1=CC(=CC=C1CCC=O)O
InChI InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-7,11H,1-2H2
InChI Key REEQXZCFSBLNDH-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

Top
Molecular Formula C9H10O2
Molecular Weight 150.17 g/mol
Exact Mass 150.068079557 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 1.50

Synonyms

Top
20238-83-9
BENZENEPROPANAL, 4-HYDROXY-
4-Hydroxydihydrocinnamaldehyde
3-(4-HYDROXY-PHENYL)-PROPIONALDEHYDE
3-(p-Hydroxyphenyl)propanal
4-Hydroxybenzenepropanal
SCHEMBL351627
3-(4-hydroxyphenyl)-propanal
Hydrocinnamaldehyde, p-hydroxy-
CHEBI:80671
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of 3-(4-Hydroxyphenyl)propanal

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.90% 91.11%
CHEMBL2581 P07339 Cathepsin D 90.28% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.96% 95.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.16% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.41% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.94% 94.45%
CHEMBL3401 O75469 Pregnane X receptor 82.94% 94.73%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.52% 86.33%
CHEMBL4208 P20618 Proteasome component C5 80.23% 90.00%

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.
Zingiber officinale

Cross-Links

Top
PubChem 11957427
LOTUS LTS0088636
wikiData Q27149713