TPCN00781
![[object Object]](../../static/browser_molecular_png/TPCN00781.png)
| Name | Isoakuammiline |
| Molecular Formula | C23H26N2O4 |
| Molecular Weight | 394.47 |
| CAS Registry Number | 2082022-36-2 |
| SMILES | CC=C1C2C3=Nc4ccccc4C34CCN2CCC1C4(COC(C)=O)C(=O)OC |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Tabernaemontana litoralis | Fruits | 0.000013% | J Nat Prod, 2016, 79, 3143-3147. | 10.1021/acs.jnatprod.6b00405 |
Properties
| HBA | 6 | HBD | 0 |
| HeavyAtoms | 29 | AlogP | 2.79 |
| TPSA | 68.20 | RotatableBonds | 3 |
| FractionCSP3 | 0.52 | Rings | 5 |
| AromaticRings | 1 | AliphaticRings | 4 |