TPCN00396
![[object Object]](../../static/browser_molecular_png/TPCN00396.png)
| Name | Nb-demethylechitamine N-oxide |
| Molecular Formula | C21H26N2O5 |
| Molecular Weight | 386.45 |
| CAS Registry Number | 118957-11-2 |
| SMILES | CC=C1C[N+]2([O-])CCC34c5ccccc5NC32C(O)CC1C4(CO)C(=O)OC |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Alstonia rostrata | Barks | 0.000357% | Org Lett, 2012, 14, 3450-3453. | 10.1021/ol301400e |
Properties
| HBA | 7 | HBD | 3 |
| HeavyAtoms | 28 | AlogP | 1.26 |
| TPSA | 101.85 | RotatableBonds | 2 |
| FractionCSP3 | 0.57 | Rings | 6 |
| AromaticRings | 1 | AliphaticRings | 5 |