TPCN00626
![[object Object]](../../static/browser_molecular_png/TPCN00626.png)
| Name | Ibogaine |
| Molecular Formula | C20H26N2O |
| Molecular Weight | 310.44 |
| CAS Registry Number | 83-74-9 |
| SMILES | CCC1CC2CC3c4[nH]c5ccc(OC)cc5c4CCN(C2)C13 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Ervatamia divaricata | Roots | 0.000085% | J Org Chem, 2018, 83, 10613-10618. | 10.1021/acs.joc.8b01371 |
| Apocynaceae | Tabernaemontana pandacaqui | Aerial parts | 0.000082% | Chem Biodivers, 2018, 15, e1800268. | 10.1002/cbdv.201800268 |
Properties
| HBA | 3 | HBD | 1 |
| HeavyAtoms | 23 | AlogP | 3.94 |
| TPSA | 28.26 | RotatableBonds | 2 |
| FractionCSP3 | 0.60 | Rings | 6 |
| AromaticRings | 2 | AliphaticRings | 4 |