TPCN02368
![[object Object]](../../static/browser_molecular_png/TPCN02368.png)
| Name | Aconitine |
| Molecular Formula | C34H47NO11 |
| Molecular Weight | 645.75 |
| CAS Registry Number | 302-27-2 |
| SMILES | CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Ranunculaceae | Aconitum carmichaeli | Roots | 0.002040% | Nat Prod Res 31, 228-232 (2017). | 10.1080/14786419.2016.1219863 |
| Ranunculaceae | Aconitum brachypodum | Roots | 0.000431% | J Asian Nat Prod Res 18, 908-912 (2016). | 10.1080/10286020.2016.1173677 |
| Ranunculaceae | Aconitum sinchiangense | Whole plants | 0.000172% | Nat Prod Res 32, 2319-2324 (2018). | 10.1080/14786419.2017.1410814 |
| Ranunculaceae | Aconitum kusnezoffii | Roots | 0.000006% | Molecules 16, 3345-3350 (2011). | 10.3390/molecules16043345 |
Properties
| HBA | 12 | HBD | 3 |
| HeavyAtoms | 46 | AlogP | 0.65 |
| TPSA | 153.45 | RotatableBonds | 9 |
| FractionCSP3 | 0.76 | Rings | 7 |
| AromaticRings | 1 | AliphaticRings | 6 |