TPCN00020
![[object Object]](../../static/browser_molecular_png/TPCN00020.png)
| Name | Echitaminic acid |
| Molecular Formula | C21H26N2O4 |
| Molecular Weight | 370.45 |
| CAS Registry Number | 7163-44-2 |
| SMILES | CC=C1C[N+]2(C)CCC34c5ccccc5NC32C(O)CC1C4(CO)C(=O)[O-] |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Alstonia rostrata | Barks | 0.078571% | Org Lett, 2012, 14, 3450-3453. | 10.1021/ol301400e |
Properties
| HBA | 6 | HBD | 3 |
| HeavyAtoms | 27 | AlogP | -0.03 |
| TPSA | 92.62 | RotatableBonds | 2 |
| FractionCSP3 | 0.57 | Rings | 6 |
| AromaticRings | 1 | AliphaticRings | 5 |