4-Formylbenzoic acid

Details

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Internal ID 442dff29-3d83-474e-919a-8394d20e09bd
Taxonomy Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acids
IUPAC Name 4-formylbenzoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11)
InChI Key GOUHYARYYWKXHS-UHFFFAOYSA-N
Popularity 375 references in papers

Physical and Chemical Properties

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Molecular Formula C8H6O3
Molecular Weight 150.13 g/mol
Exact Mass 150.031694049 g/mol
Topological Polar Surface Area (TPSA) 54.40 Ų
XlogP 1.80

Synonyms

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4-Carboxybenzaldehyde
619-66-9
Terephthalaldehydic acid
Benzoic acid, 4-formyl-
p-Carboxybenzaldehyde
p-Formylbenzoic acid
Terephthaldehydic acid
4-Formyl-benzoic acid
4-formyl benzoic acid
MFCD00006951
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 4-Formylbenzoic acid

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
CHEMBL1293294 P51151 Ras-related protein Rab-9A 95.42% 87.67%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.72% 95.56%
CHEMBL3194 P02766 Transthyretin 92.71% 90.71%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.56% 86.33%
CHEMBL1951 P21397 Monoamine oxidase A 86.51% 91.49%
CHEMBL4208 P20618 Proteasome component C5 84.79% 90.00%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 81.94% 89.34%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 81.27% 93.00%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 81.07% 81.11%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 80.56% 100.00%
CHEMBL3492 P49721 Proteasome Macropain subunit 80.02% 90.24%

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.
Hibiscus taiwanensis

Cross-Links

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PubChem 12088
LOTUS LTS0193715
wikiData Q23662583