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

Details

• Internal ID: b09b4bb6-e639-44dd-972b-cb8562f20f4a
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Anilides > Aromatic anilides > Benzanilides
• IUPAC Name: 2-[(2,4-dihydroxybenzoyl)amino]benzoic acid
• SMILES (Canonical): C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=C(C=C(C=C2)O)O
• SMILES (Isomeric): C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=C(C=C(C=C2)O)O
• InChI: InChI=1S/C14H11NO5/c16-8-5-6-10(12(17)7-8)13(18)15-11-4-2-1-3-9(11)14(19)20/h1-7,16-17H,(H,15,18)(H,19,20)
• InChI Key: XRVRNIKWGJNETB-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₁NO₅
• Molecular Weight: 273.24 g/mol
• Exact Mass: 273.06372245 g/mol
• Topological Polar Surface Area (TPSA): 107.00 Ų
• XlogP: 3.00

Synonyms

• AKOS000138614
• Z239873414

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL1293294	P51151	Ras-related protein Rab-9A	95.03%	87.67%
CHEMBL1293277	O15118	Niemann-Pick C1 protein	94.57%	81.11%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.90%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.28%	95.56%
CHEMBL3714130	P46095	G-protein coupled receptor 6	91.46%	97.36%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	90.03%	94.62%
CHEMBL4901	P54753	Ephrin type-B receptor 3	89.15%	87.50%
CHEMBL2535	P11166	Glucose transporter	88.92%	98.75%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	86.87%	94.42%
CHEMBL5847	P52895	Aldo-keto reductase family 1 member C2	86.24%	92.50%
CHEMBL2581	P07339	Cathepsin D	84.85%	98.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.61%	99.23%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	83.70%	95.50%
CHEMBL3401	O75469	Pregnane X receptor	81.82%	94.73%
CHEMBL4531	P17931	Galectin-3	81.73%	96.90%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	81.10%	99.15%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	80.72%	96.09%
CHEMBL3194	P02766	Transthyretin	80.58%	90.71%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	80.37%	91.07%
CHEMBL2321614	Q9NPC2	Potassium channel subfamily K member 9	80.15%	80.00%

Plants that contains it

• Dianthus caryophyllus

Cross-Links

• PubChem: 10265288
• LOTUS: LTS0236717
• wikiData: Q105340833