| ImmunCR Id : | ICR70 |
| Chemical Name : | Triptolide |
| Plant Source : | Triptrtygium Wilford II |
| Nutraceutical information : | --- |
| Mode of administration : | Oral |
| Immunomodulatory mechanism : | --- |
| Description : | Triptolide is a diterpenoid triepoxide with very low bioavailability, solubility and toxicity limits its use clinically. |
| IUPAC Name | (1S,2S,4S,5S,7R,8R,9S,11S,13S)-8-hydroxy-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-one |
| SMILES | CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2O)O7)COC6=O)C |
| Formula | C20H24O6 |
| InchiKey | DFBIRQPKNDILPW-UHFFFAOYSA-N |
| Kingdom | Organic compounds |
| Superclass | Organoheterocyclic compounds |
| Class | Oxepanes |
| Subclass | --- |
| LogP | 0.872 |
| Molecular weight | 360.401 |
| Hydrogen Bond Acceptor | 6 |
| Hydrogen Bond Donor | 1 |
| Polar surface area | 73.836 |
| No. of rotatable bonds | 1 |
| Number of Aromatic Rings | 0 |
| Number of rings | 7 |
| Absorption level | Good |
| Solubility level | Very Soluble |
| Blood Brain Barrier | Low |
| Plasma protein binding | Non-Binder |
| CYP2D6 inhibition | Non-Inhibitor |
