TPCN00837
![[object Object]](../../static/browser_molecular_png/TPCN00837.png)
| Name | Vernodalol |
| Molecular Formula | C20H24O8 |
| Molecular Weight | 392.40 |
| CAS Registry Number | 65388-17-2 |
| SMILES | C=CC12COC(=O)C(=C)C1C(O)C(C(=C)C(=O)OC)C(OC(=O)C(=C)CO)C2 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Vernonia amygdalina | Leaves | 0.048600% | J Ethnopharmacol 106(1): 117-120.(2006) | 10.1016/j.jep.2005.12.016 |
| Asteraceae | Vernonia amygdalina | Leaves | 0.036778% | J Nat Prod 78(7): 1618-1623.(2015) | 10.1021/acs.jnatprod.5b00179 |
| Asteraceae | Distephanus angulifolius | Aerial parts | 0.003291% | Phytochemistry 70(5): 601-607.(2009) | 10.1016/j.phytochem.2009.02.005 |
| Magnoliaceae | Vernonia lasiopus | Aerial parts | 0.000747% | Molecules 22(4).(2017) | 10.3390/molecules22040597 |
Properties
| HBA | 8 | HBD | 2 |
| HeavyAtoms | 28 | AlogP | 0.46 |
| TPSA | 119.36 | RotatableBonds | 6 |
| FractionCSP3 | 0.45 | Rings | 2 |
| AromaticRings | 0 | AliphaticRings | 2 |