TPCN00016
![[object Object]](../../static/browser_molecular_png/TPCN00016.png)
| Name | Nb-demethylechitamine;N(4)-demethylechitamine |
| Molecular Formula | C21H26N2O4 |
| Molecular Weight | 370.45 |
| CAS Registry Number | 60048-88-6 |
| SMILES | CC=C1CN2CCC34c5ccccc5NC23C(O)CC1C4(CO)C(=O)OC |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Alstonia rostrata | Barks | 0.114286% | Org Lett, 2012, 14, 3450-3453. | 10.1021/ol301400e |
| Apocynaceae | Alstonia scholaris | Barks | 0.000400% | Planta Med, 2009, 75, 1537-1541. | 10.1055/s-0029-1185900 |
| Apocynaceae | Alstonia rostrata | Stems | 0.000091% | Nat Prod Res, 2018, 32, 844-848. | 10.1080/14786419.2017.1360886 |
Properties
| HBA | 6 | HBD | 3 |
| HeavyAtoms | 27 | AlogP | 1.24 |
| TPSA | 82.03 | RotatableBonds | 2 |
| FractionCSP3 | 0.57 | Rings | 6 |
| AromaticRings | 1 | AliphaticRings | 5 |