| ImmunCR Id : | ICR84 |
| Chemical Name : | Lupeol |
| Plant Source : | Tripterygium Wilford II |
| Nutraceutical information : | Edible, Mango, strawberry, pepper, white cabbage |
| Mode of administration : | --- |
| Immunomodulatory mechanism : | Apoptotic (activates mitochondrial-mediated apoptosis pathway, inhibits Akt/PKB pathway, suppresses EGFR/STAT3 pathway); Anti-proliferation (regulates P13K/Akt, Wnt signaling pathways, aresst G1 cell cycle phase-upregulates CDKN2A); Anti-metastasis (regulates rhoa-ROCK1, p38/MAPK, EGFR/MMP-9, MAPK/ERK, PI3K/Akt signaling pathways); Anti-inflammatory (downregulates IL-2, IFN-γ, TNF-α, regulates TLR4/myd88/NF-κb P65 signaling pathway, TLR, MAPK, p38, JNK) |
| Description : | Lupeol belongs to class II of biopharmaceutical classification system and is a triterpenoid compound. |
| IUPAC Name | (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol |
| SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C |
| Formula | C30H50O |
| InchiKey | MQYXUWHLBZFQQO-QGTGJCAVSA-N |
| Kingdom | Organic compounds |
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Triterpenoids |
| LogP | 7.403 |
| Molecular weight | 426.717 |
| Hydrogen Bond Acceptor | 1 |
| Hydrogen Bond Donor | 1 |
| Polar surface area | 20.815 |
| No. of rotatable bonds | 1 |
| Number of Aromatic Rings | 0 |
| Number of rings | 5 |
| Absorption level | Very low |
| Solubility level | Very Soluble |
| Blood Brain Barrier | Undefined |
| Plasma protein binding | Binder |
| CYP2D6 inhibition | Non-Inhibitor |
