Molecule Details
| InChIKey | MQYXUWHLBZFQQO-QGTGJCAVSA-N |
|---|---|
| Canonical SMILES | C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.62 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12622 |
|---|---|
| Drug Name | Lupeol |
| CAS Number | 545-47-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Lupeol has been investigated for the treatment of Acne. |
Categories: Anti-Inflammatory Agents Pentacyclic Triterpenes Terpenes Triterpenes
Cross-references: BindingDB: 50377927 ChEBI: 6570 CHEMBL289191 ChemSpider: 228079 C08628 PubChem:259846 PubChem:347828834 Wikipedia: Lupeol ZINC: ZINC000004081455