| ImmunCR Id : | ICR108 |
| Chemical Name : | Vanillic acid |
| Plant Source : | Carica papaya L. |
| Nutraceutical information : | Edible, Black sesame, Whole grains, green tea, wine, beer, |
| Mode of administration : | --- |
| Immunomodulatory mechanism : | Anti-inflammatory (inhibits TNF-α, IL-6); Anti-obesity (activation of MAPK pathway, regulates pparγ, downregulates C/ebpα, upregulates ampkα, ACC phosphorylation); Neuroprotective (inhibits COX-2, NF-kb, tenascin-C) |
| Description : | VA, 4-Hydroxy-3-methoxybenzoic acid is a derived from benzoic acid, obtained from ferulic acid bioconversion. It is used as a flavoring agent in food industry due to the creamy and pleasant odor. |
| IUPAC Name | 4-hydroxy-3-methoxybenzoic acid |
| SMILES | COC1=C(C=CC(=C1)C(=O)O)O |
| Formula | C8H8O4 |
| InchiKey | WKOLLVMJNQIZCI-UHFFFAOYSA-N |
| Kingdom | Organic compounds |
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| LogP | 1.201 |
| Molecular weight | 168.147 |
| Hydrogen Bond Acceptor | 4 |
| Hydrogen Bond Donor | 2 |
| Polar surface area | 67.861 |
| No. of rotatable bonds | 2 |
| Number of Aromatic Rings | 1 |
| Number of rings | 1 |
| Absorption level | Good |
| Solubility level | Very Soluble |
| Blood Brain Barrier | Low |
| Plasma protein binding | Non-Binder |
| CYP2D6 inhibition | Non-Inhibitor |
