Avenanthramid D
Basic information
- CAS
53901-55-6- Standard SMILES
O=C(C=Cc1ccc(O)cc1)Nc1ccccc1C(=O)O- InChIKey
INBHLTYBRKASIZ-UHFFFAOYSA-N- Molecular formula
- C16H13NO4
- Average molar mass
- 283.28 g/mol
- Monoisotopic mass
- 283.0844579
Overview
N-(4'-hydroxycinnamoyl)-anthranilic acid has been reported in Dianthus caryophyllus and Oryza sativa with data available.
Names & identifiers
- Preferred name
- Avenanthramid D
- IUPAC
- 2-[3-(4-hydroxyphenyl)prop-2-enoylamino]benzoic acid
Names & synonyms
Avenanthramid DSCHEMBL2778922DTXSID001179579QEA61036N-(4'-hydroxycinnamoyl)-anthranilic acid2-{[3-(4-Hydroxyphenyl)prop-2-enoyl]amino}benzoic acid2-[[3-(4-Hydroxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoic acid
Database identifiers
- CAS
53901-55-6- PubChem CID
- 185757
- DTXSID
DTXSID001179579
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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