TPCN01411
![[object Object]](../../static/browser_molecular_png/TPCN01411.png)
| Name | Atractylenolide III |
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.32 |
| CAS Registry Number | 73030-71-4 |
| SMILES | C=C1CCCC2(C)CC3(O)OC(=O)C(C)=C3CC12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Chloranthaceae | Chloranthus japonicus | Whole plants | 0.000524% | Chin J Nat Med 10(1): 24-27.(2012) | 10.1016/S1875-5364(12)60005-3 |
Properties
| HBA | 3 | HBD | 1 |
| HeavyAtoms | 18 | AlogP | 2.70 |
| TPSA | 46.53 | RotatableBonds | 0 |
| FractionCSP3 | 0.67 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |