TPCN01315
![[object Object]](../../static/browser_molecular_png/TPCN01315.png)
| Name | 3??-deoxyvernodalol |
| Molecular Formula | C20H24O7 |
| Molecular Weight | 376.41 |
| CAS Registry Number | 1799729-06-8 |
| SMILES | C=CC12COC(=O)C(=C)C1C(O)C(C(=C)C(=O)OC)C(OC(=O)C(=C)C)C2 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Vernonia amygdalina | Leaves | 0.000756% | J Nat Prod 78(7): 1618-1623.(2015) | 10.1021/acs.jnatprod.5b00179 |
Properties
| HBA | 7 | HBD | 1 |
| HeavyAtoms | 27 | AlogP | 1.49 |
| TPSA | 99.13 | RotatableBonds | 5 |
| FractionCSP3 | 0.45 | Rings | 2 |
| AromaticRings | 0 | AliphaticRings | 2 |