TPCN00647
![[object Object]](../../static/browser_molecular_png/TPCN00647.png)
| Name | Isocaboxine B |
| Molecular Formula | C22H26N2O5 |
| Molecular Weight | 398.46 |
| CAS Registry Number | 3382-38-5 |
| SMILES | COC(=O)C1=COC(C)C2CN3CCC4(C(=O)Nc5cc(OC)ccc54)C3CC12 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Paeoniaceae | Rauvolfia yunnanensis | Whole plants | 0.000071% | Molecules, 2019, 24. | 10.3390/molecules24244574 |
Properties
| HBA | 7 | HBD | 1 |
| HeavyAtoms | 29 | AlogP | 2.07 |
| TPSA | 77.10 | RotatableBonds | 2 |
| FractionCSP3 | 0.55 | Rings | 5 |
| AromaticRings | 1 | AliphaticRings | 4 |