2-[(2,4-Dihydroxybenzoyl)amino]-4-hydroxybenzoic acid

Details

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Internal ID 5c2d6e99-7550-4300-bd9a-6de92902b5e1
Taxonomy Benzenoids > Benzene and substituted derivatives > Anilides > Aromatic anilides > Benzanilides
IUPAC Name 2-[(2,4-dihydroxybenzoyl)amino]-4-hydroxybenzoic acid
SMILES (Canonical) C1=CC(=C(C=C1O)NC(=O)C2=C(C=C(C=C2)O)O)C(=O)O
SMILES (Isomeric) C1=CC(=C(C=C1O)NC(=O)C2=C(C=C(C=C2)O)O)C(=O)O
InChI InChI=1S/C14H11NO6/c16-7-1-3-9(14(20)21)11(5-7)15-13(19)10-4-2-8(17)6-12(10)18/h1-6,16-18H,(H,15,19)(H,20,21)
InChI Key RGHQZWPJNRDCCH-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C14H11NO6
Molecular Weight 289.24 g/mol
Exact Mass 289.05863707 g/mol
Topological Polar Surface Area (TPSA) 127.00 Ų
XlogP 2.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-[(2,4-Dihydroxybenzoyl)amino]-4-hydroxybenzoic 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
CHEMBL1293277 O15118 Niemann-Pick C1 protein 97.18% 81.11%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 97.03% 87.67%
CHEMBL3714130 P46095 G-protein coupled receptor 6 96.27% 97.36%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 91.82% 94.42%
CHEMBL3194 P02766 Transthyretin 91.01% 90.71%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.31% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.06% 95.56%
CHEMBL4901 P54753 Ephrin type-B receptor 3 86.36% 87.50%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 84.87% 99.15%
CHEMBL2568 P06737 Liver glycogen phosphorylase 84.76% 96.92%
CHEMBL2535 P11166 Glucose transporter 83.52% 98.75%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.36% 96.09%
CHEMBL2581 P07339 Cathepsin D 82.01% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.63% 99.17%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.57% 90.71%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 80.18% 91.07%

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.
Dianthus caryophyllus

Cross-Links

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PubChem 9971390
LOTUS LTS0111438
wikiData Q105235855