TPCN00836
![[object Object]](../../static/browser_molecular_png/TPCN00836.png)
| Name | Vernolide;11,13-dihydrovernolide |
| Molecular Formula | C19H22O7 |
| Molecular Weight | 362.38 |
| CAS Registry Number | 27428-86-0 |
| SMILES | C=C(C)C(=O)OC1CC23OC2CCC(=CC2OC(=O)C(=C)C21)COC3O |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Vernonia amygdalina | Leaves | 0.050067% | J Nat Prod 78(7): 1618-1623.(2015) | 10.1021/acs.jnatprod.5b00179 |
| Asteraceae | Vernonia amygdalina | Leaves | 0.015600% | J Ethnopharmacol 106(1): 117-120.(2006) | 10.1016/j.jep.2005.12.016 |
| Asteraceae | Vernonia amygdalina | Leaves | 0.001222% | J Nat Prod 78(7): 1618-1623.(2015) | 10.1021/acs.jnatprod.5b00179 |
| Lauraceae | Vernonia cinerascens | Aerial parts | 0.000617% | Molecules 23(2).(2018) | 10.3390/molecules23020248 |
Properties
| HBA | 7 | HBD | 1 |
| HeavyAtoms | 26 | AlogP | 1.17 |
| TPSA | 94.59 | RotatableBonds | 2 |
| FractionCSP3 | 0.58 | Rings | 5 |
| AromaticRings | 0 | AliphaticRings | 5 |