| Phytochemical Name : Avenanthramide E |
| PCNDIDA0242 |
| Pubchem CID : 10245047 |
| Molecular formula: C17H15NO5 |
| Canonical SMILES : COC1=C(C=CC(=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)O |
Synonymes : Avenanthramide E|93755-77-2|4-Demethyl Tranilast|Avenanthramide 1f|SB9MUF0VRT|2-(((2E)-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl)amino)benzoic acid|2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoic acid|(E)-2-[[3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]amino]benzoic Acid|(E)-2-(3-(4-Hydroxy-3-methoxyphenyl)acrylamido)benzoic acid|Benzoic acid, 2-(((2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)amino)-|Benzoic acid, 2-((3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)amino)-, (E)-|starbld0002665|UNII-SB9MUF0VRT|Avenanthramide E (Collins)|SCHEMBL2779937|CHEMBL1075791|DTXSID20437293|CHEBI:174266|AKOS040750648|N-[4-Hydroxy-3-methoxy-(E)cinnamoyl]-anthranilic acid|2-[[3-(3-Methoxy-4-hydroxyphenyl)acryloyl]amino]benzoic acid|2-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]benzoic acid|2-[[(Z)-3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoic acid |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.160 |
| Log Po/w (XLOGP3) : 2.880 |
| Log Po/w (WLOGP) : 2.450 |
| Log Po/w (MLOGP) : 1.850 |
| Log Po/w (SILICOS-IT) : 2.170 |
| Consensus Log Po/w : 2.300 |