TPCN01893
![[object Object]](../../static/browser_molecular_png/TPCN01893.png)
| Name | Atractylenolide IV |
| Molecular Formula | C17H22O5 |
| Molecular Weight | 306.36 |
| CAS Registry Number | 147396-00-7 |
| SMILES | C=C1C(OC(C)=O)CCC2(C)CC3(O)OC(=O)C(C)=C3CC12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Chloranthaceae | Sarcandra glabra | Whole plants | 0.000060% | Nat Prod Res 27(13): 1197-1201.（2013） | 10.1080/14786419.2012.722084 |
Properties
| HBA | 5 | HBD | 1 |
| HeavyAtoms | 22 | AlogP | 2.25 |
| TPSA | 72.83 | RotatableBonds | 1 |
| FractionCSP3 | 0.65 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |