Avenanthramide L

Details

• Internal ID: ef0a6e9b-5e49-4977-864b-1c24d3fd5272
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Acylaminobenzoic acid and derivatives
• IUPAC Name: 5-hydroxy-2-[[(2E,4E)-5-(4-hydroxyphenyl)penta-2,4-dienoyl]amino]benzoic acid
• SMILES (Canonical): C1=CC(=CC=C1C=CC=CC(=O)NC2=C(C=C(C=C2)O)C(=O)O)O
• SMILES (Isomeric): C1=CC(=CC=C1/C=C/C=C/C(=O)NC2=C(C=C(C=C2)O)C(=O)O)O
• InChI: InChI=1S/C18H15NO5/c20-13-7-5-12(6-8-13)3-1-2-4-17(22)19-16-10-9-14(21)11-15(16)18(23)24/h1-11,20-21H,(H,19,22)(H,23,24)/b3-1+,4-2+
• InChI Key: FRNDILDQFSAXAR-ZPUQHVIOSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₅NO₅
• Molecular Weight: 325.30 g/mol
• Exact Mass: 325.09502258 g/mol
• Topological Polar Surface Area (TPSA): 107.00 Ų
• XlogP: 3.20

Synonyms

• CHEBI:175146
• DTXSID401127813
• 5-Hydroxy-2-[[(2E,4E)-5-(4-hydroxyphenyl)-1-oxo-2,4-pentadien-1-yl]amino]benzoic acid
• 5-hydroxy-2-[[(2E,4E)-5-(4-hydroxyphenyl)penta-2,4-dienoyl]amino]benzoic acid
• 172549-38-1

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.72%	91.11%
CHEMBL3194	P02766	Transthyretin	92.49%	90.71%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.98%	95.56%
CHEMBL1293277	O15118	Niemann-Pick C1 protein	89.29%	81.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.85%	86.33%
CHEMBL1293294	P51151	Ras-related protein Rab-9A	86.82%	87.67%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.18%	99.17%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	84.62%	94.42%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	83.98%	95.50%
CHEMBL2964	P36507	Dual specificity mitogen-activated protein kinase kinase 2	83.50%	80.00%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	82.87%	93.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.22%	96.00%
CHEMBL2581	P07339	Cathepsin D	80.89%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.21%	89.00%

Plants that contains it

• Avena sativa

Cross-Links

• PubChem: 101688490
• LOTUS: LTS0142963
• wikiData: Q76810029