TPCN05454
![[object Object]](../../static/browser_molecular_png/TPCN05454.png)
| Name | Celastrol |
| Molecular Formula | C29H38O4 |
| Molecular Weight | 450.62 |
| CAS Registry Number | 34157-83-0 |
| SMILES | CC1=C(O)C(=O)C=C2C1=CC=C1C2(C)CCC2(C)C3CC(C)(C(=O)O)CCC3(C)CCC12C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Celastraceae | Maytenus scutioides | Barks | 0.000667% | Bioorg Med Chem. 1996. 4, 815-825. | 10.1016/0968-0896(96)00078-8. |
Properties
| HBA | 4 | HBD | 2 |
| HeavyAtoms | 33 | AlogP | 6.70 |
| TPSA | 74.60 | RotatableBonds | 1 |
| FractionCSP3 | 0.66 | Rings | 5 |
| AromaticRings | 0 | AliphaticRings | 5 |