TPCN00348
![[object Object]](../../static/browser_molecular_png/TPCN00348.png)
| Name | Isotabernamine |
| Molecular Formula | C40H48N4O2 |
| Molecular Weight | 616.85 |
| CAS Registry Number | 91794-13-7 |
| SMILES | CC=C1CN(C)C2Cc3c([nH]c4ccccc34)C(c3ccc4[nH]c5c(c4c3)CCN3CC4CC(CC)C3C5C4)CC1C2C(=O)OC |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Tabernaemontana bufalina | Aerial parts | 0.000460% | Planta Med, 2018, 84, 1127-1133. | 10.1055/a-0608-4988 |
Properties
| HBA | 6 | HBD | 2 |
| HeavyAtoms | 46 | AlogP | 7.15 |
| TPSA | 64.36 | RotatableBonds | 3 |
| FractionCSP3 | 0.53 | Rings | 10 |
| AromaticRings | 4 | AliphaticRings | 6 |