Avenanthramide G
PubChem CID: 12003326
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| Compound Synonyms | Avenanthramide G, 4-Hydroxy-N-(4-hydroxycinnamoyl)anthranilic acid, 4-hydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]benzoic acid, 4-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoic Acid, 4-hydroxy-2-((2E)-3-(4-hydroxyphenyl)prop-2-enamido)benzoic acid, 4-hydroxy-2-(((E)-3-(4-hydroxyphenyl)prop-2-enoyl)amino)benzoic acid, 4-Hydroxy-2-(((2E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene)amino)benzoate, 4-Hydroxy-2-{[(2E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}benzoate, SCHEMBL9973825, N-(4'-hydroxy-(e)-cinnamoyl)-4-hydroxyanthranilic acid |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 22.0 |
| Description | Stress metabolite in oats (Avena sativa) induced by Victorin M <ht>JTT63-H</ht>. Avenanthramide G is found in oat and cereals and cereal products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 428.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid |
| Nih Violation | False |
| Class | Cinnamic acids and derivatives |
| Xlogp | 2.6 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Hydroxycinnamic acids and derivatives |
| Molecular Formula | C16H13NO5 |
| Inchi Key | QSUPRDNLJSCNSD-FPYGCLRLSA-N |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | 4-Hydroxy-N-(4-hydroxycinnamoyl)anthranilic acid, Avenanthramide G, 4-Hydroxy-2-{[(2E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}benzoate |
| Compound Name | Avenanthramide G |
| Kingdom | Organic compounds |
| Exact Mass | 299.079 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 299.079 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 299.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Inchi | InChI=1S/C16H13NO5/c18-11-4-1-10(2-5-11)3-8-15(20)17-14-9-12(19)6-7-13(14)16(21)22/h1-9,18-19H,(H,17,20)(H,21,22)/b8-3+ |
| Smiles | C1=CC(=CC=C1/C=C/C(=O)NC2=C(C=CC(=C2)O)C(=O)O)O |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Avenanthramides |
- 1. Outgoing r'ship
FOUND_INto/from Avena Sativa (Plant) Rel Props:Source_db:fooddb_chem_all