| ImmunCR Id : | ICR13 |
| Chemical Name : | Petunidin |
| Plant Source : | Prunus cerasus ledeb |
| Nutraceutical information : | Edible, High nutritional content in color and flavor of fruits and vegetables |
| Mode of administration : | --- |
| Immunomodulatory mechanism : | Antioxidant, anti-tumor, reduce oxidative stress, protect against lipid peroxidation, higher effectivity due to presence of 3-O glucoside |
| Description : | Petunidin is a flavylium-containing anthocyanidin cation that has five hydroxyl substituents at positions 3, 3', 4', 5, and 7, as well as a methoxyl substituent at position 5'. It serves as a metabolite for plants. |
| IUPAC Name | 2-(3,4-dihydroxy-5-methoxyphenyl)chromenylium-3,5,7-triol |
| SMILES | COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O.[Cl-] |
| Formula | C16H13ClO7 |
| InchiKey | QULMBDNPZCFSPR-UHFFFAOYSA-N |
| Kingdom | Organic compounds |
| Superclass | Phenylpropanoids and polyketides |
| Class | Flavonoids |
| Subclass | O-methylated flavonoids |
| LogP | 0.348 |
| Molecular weight | 352.723 |
| Hydrogen Bond Acceptor | 6 |
| Hydrogen Bond Donor | |
| Polar surface area | 125.561 |
| No. of rotatable bonds | 2 |
| Number of Aromatic Rings | 3 |
| Number of rings | 3 |
| Absorption level | Moderate |
| Solubility level | Very Soluble |
| Blood Brain Barrier | Undefined |
| Plasma protein binding | Non-Binder |
| CYP2D6 inhibition | Non-Inhibitor |
