TPCN01869
![[object Object]](../../static/browser_molecular_png/TPCN01869.png)
| Name | Volvalerelactones A |
| Molecular Formula | C20H27NO6 |
| Molecular Weight | 377.44 |
| CAS Registry Number | 1309580-75-3 |
| SMILES | C=C1CC(O)C(C(=C)C(=O)O)C(OC(=O)C2CCCN2)C2C(=C)C(O)CC12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Valeriana officinalis | Roots | 0.000071% | Org Lett 13(12): 3036-3039.(2011) | 10.1021/ol200878w |
Properties
| HBA | 7 | HBD | 4 |
| HeavyAtoms | 27 | AlogP | 0.78 |
| TPSA | 116.09 | RotatableBonds | 4 |
| FractionCSP3 | 0.60 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |