TPCN01330
![[object Object]](../../static/browser_molecular_png/TPCN01330.png)
| Name | Vernodalin |
| Molecular Formula | C19H20O7 |
| Molecular Weight | 360.36 |
| CAS Registry Number | 21871-10-3 |
| SMILES | C=CC12COC(=O)C(=C)C1C1OC(=O)C(=C)C1C(OC(=O)C(=C)CO)C2 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Cyperaceae | Vernonia cinerascens | Aerial parts | 0.000700% | Molecules 23(2).(2018) | 10.3390/molecules23020248 |
| Asteraceae | Gymnanthemum extensum | Aerial parts | 0.000462% | Bioorg Chem 92: 103197.(2019) | 10.1016/j.bioorg.2019.103197 |
| Asteraceae | Vernonia anthelmintica | Seeds | 0.000200% | Bioorg Med Chem Lett 26(15): 3608-3611.(2016) | 10.1016/j.bmcl.2016.06.009 |
Properties
| HBA | 7 | HBD | 1 |
| HeavyAtoms | 26 | AlogP | 0.85 |
| TPSA | 99.13 | RotatableBonds | 4 |
| FractionCSP3 | 0.42 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |