| ImmunCR Id : | ICR124 |
| Chemical Name : | Ellagitannins |
| Plant Source : | Pomegranate, strawberry, blackberry, raspberry |
| Nutraceutical information : | Edible as pomegranate juice and other food products |
| Mode of administration : | Orally as a dietary supplement. |
| Immunomodulatory mechanism : | The effect of all ellagitannins on Th1 and Th17 responses (all concentrations) and Th2 and Treg responses (higher concentrations) was inhibitory |
| Description : | Ellagitannins is a natural product found in Punica granatum with data available. |
| IUPAC Name | [(8R,9S,27R,29S,30R,36S,37R,38R)-2,3,14,15,16,19,20,21,36,37-decahydroxy-6,11,24,32,35-pentaoxo-36-(2-oxopropyl)-7,10,25,28,31,40-hexaoxaoctacyclo[35.2.1.05,39.08,27.09,30.012,17.018,23.033,38]tetraco |
| SMILES | CC(=O)C[C@@]1(C(=O)C=C2[C@@H]3[C@]1(OC4=C3C(=CC(=C4O)O)C(=O)O[C@@H]5[C@H]6COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O[C@@H]5[C@H]([C@@H](O6)OC(=O)C9=CC(=C(C(=C9)O)O)O)OC2=O)O)O)O)O)O)O)O)O |
| Formula | C44H32O27 |
| InchiKey | DVBQHEGQMJLCBQ-OZMZSAIPSA-N |
| Kingdom | Organic compounds |
| Superclass | Phenylpropanoids and polyketides |
| Class | Tannins |
| Subclass | Hydrolyzable tannins |
| LogP | 1.534 |
| Molecular weight | 992.709 |
| Hydrogen Bond Acceptor | 27 |
| Hydrogen Bond Donor | 13 |
| Polar surface area | 454.217 |
| No. of rotatable bonds | 5 |
| Number of Aromatic Rings | 4 |
| Number of rings | 9 |
| Absorption level | Very low |
| Solubility level | Very Soluble |
| Blood Brain Barrier | Undefined |
| Plasma protein binding | Non-Binder |
| CYP2D6 inhibition | Non-Inhibitor |
