Identification
| Names | Homoveratric acid |
|---|---|
| Class | Phenolic acids |
| Sub-Class | Hydroxyphenylacetic acids |
| Family | Methoxyphenylacetic acids |
| Synonyms | 3,4-Dimethoxyphenylacetic acid ; 3,4-Dimethoxybenzeneacetic acid |
| Chemical Formula | C10H12O4 |
| Aglycones | Homoveratric acid |
| PubChem ID | 7139 |
| CAS ID | - |
| ChEBI ID | - |
| SMILES | COC1=C(OC)C=C(CC(O)=O)C=C1 |
Homoveratric acid
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Topological Polar Surface Area | miLogP | Heavy Atom Count | Rotatable Count | Molecular Volume |
|---|---|---|---|---|---|---|---|
| 196.2 | 1 | 4 | 55.77 | 1.01 | 14 | 4 | 178.94 |
ADME Predicted Parameters*
| Alogp98 | Polar Surface Area | Absorption | Plasma Protein Binding | Blood Brain Barrier | CYP2D6 |
|---|---|---|---|---|---|
| 1.461 | 55.976 | Good | Binder | Low | Non - Inhibitor |
Toxicity Predicted Parameters*
| Software | Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Sensitisation | Hepatotoxicity |
|---|---|---|---|---|---|
| Derek Nexus | No Hit | No Hit | No Hit | No Hit | Plausible |
| TOPKAT | Carcinogen | No Hit | Non - Mutagen | No Hit | Toxic |
| VEGA | Non - Carcinogen | Non - Toxicant | Non - Mutagen | Sensitizer | Unknown |
* The values predicted by softwares. ADME - TOPKAT, Toxicity - Derek Nexus, TOPKAT and VEGA.