Avenalumic acid
PubChem CID: 21951591
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| Compound Synonyms | Avenalumic acid, 135754-92-6, (2E,4E)-5-(4-hydroxyphenyl)penta-2,4-dienoic acid, (2E,4E)-5-(4-Hydroxyphenyl)-2,4-pentadienoic acid, 9DS0J94AFZ, UNII-9DS0J94AFZ, avenalumate, 2,4-Pentadienoic acid, 5-(4-hydroxyphenyl)-, (E,E)-, 2,4-Pentadienoic acid, 5-(4-hydroxyphenyl)-, (2E,4E)-, starbld0007408, SCHEMBL9998594, CHEBI:173912, DTXSID701233110, AKOS040750646, (2E,4E)-5-(4-Hydroxyphenyl)penta-2,4-dienoate |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Description | Constituent of oats (Avena sativa). Avenalumic acid is found in oat and cereals and cereal products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 235.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E)-5-(4-hydroxyphenyl)penta-2,4-dienoic acid |
| Nih Violation | False |
| Class | Benzene and substituted derivatives |
| Xlogp | 2.1 |
| Superclass | Benzenoids |
| Is Pains | False |
| Subclass | Styrenes |
| Molecular Formula | C11H10O3 |
| Inchi Key | CYYTUYSFBHDJRH-ZPUQHVIOSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | Avenalumic acid, Avenalumate, (2E,4E)-5-(4-Hydroxyphenyl)penta-2,4-dienoate |
| Compound Name | Avenalumic acid |
| Kingdom | Organic compounds |
| Exact Mass | 190.063 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 190.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 190.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Inchi | InChI=1S/C11H10O3/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h1-8,12H,(H,13,14)/b3-1+,4-2+ |
| Smiles | C1=CC(=CC=C1/C=C/C=C/C(=O)O)O |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | Styrenes |
- 1. Outgoing r'ship
FOUND_INto/from Avena Sativa (Plant) Rel Props:Source_db:fooddb_chem_all