5-(2-Phenylethenyl)furan-2-carboxylic acid

Details

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Internal ID 6b453cf8-a583-4845-9366-a12000fc0def
Taxonomy Organoheterocyclic compounds > Furans > Furoic acid and derivatives > Furoic acids
IUPAC Name 5-(2-phenylethenyl)furan-2-carboxylic acid
SMILES (Canonical) C1=CC=C(C=C1)C=CC2=CC=C(O2)C(=O)O
SMILES (Isomeric) C1=CC=C(C=C1)C=CC2=CC=C(O2)C(=O)O
InChI InChI=1S/C13H10O3/c14-13(15)12-9-8-11(16-12)7-6-10-4-2-1-3-5-10/h1-9H,(H,14,15)
InChI Key QOLLEHPWMIUKOR-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C13H10O3
Molecular Weight 214.22 g/mol
Exact Mass 214.062994177 g/mol
Topological Polar Surface Area (TPSA) 50.40 Ų
XlogP 3.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-(2-Phenylethenyl)furan-2-carboxylic 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 93.40% 87.67%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.13% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.29% 91.11%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 91.57% 94.62%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.78% 86.33%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 88.44% 81.11%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 87.12% 83.57%
CHEMBL3194 P02766 Transthyretin 87.10% 90.71%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.91% 96.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 86.82% 95.50%
CHEMBL3492 P49721 Proteasome Macropain subunit 86.00% 90.24%
CHEMBL3902 P09211 Glutathione S-transferase Pi 84.34% 93.81%
CHEMBL2581 P07339 Cathepsin D 84.20% 98.95%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 83.69% 93.00%
CHEMBL3401 O75469 Pregnane X receptor 82.88% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.19% 99.17%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.25% 96.95%

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.
Renealmia nicolaioides

Cross-Links

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PubChem 131332862
LOTUS LTS0160080
wikiData Q105224975