TPCN00529
![[object Object]](../../static/browser_molecular_png/TPCN00529.png)
| Name | Heyneanine |
| Molecular Formula | C21H26N2O3 |
| Molecular Weight | 354.45 |
| CAS Registry Number | 4865-78-5 |
| SMILES | COC(=O)C12CC3CC(C(C)O)C1N(CCc1c2[nH]c2ccccc12)C3 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Ervatamia hainanensis | Aerial parts | 0.000166% | J Nat Prod, 2015, 78, 1253-1261. | 10.1021/acs.jnatprod.5b00051 |
| Apocynaceae | Tabernaemontana litoralis | Fruits | 0.000067% | J Nat Prod, 2016, 79, 3143-3147. | 10.1021/acs.jnatprod.6b00405 |
Properties
| HBA | 5 | HBD | 2 |
| HeavyAtoms | 26 | AlogP | 2.23 |
| TPSA | 65.56 | RotatableBonds | 2 |
| FractionCSP3 | 0.57 | Rings | 6 |
| AromaticRings | 2 | AliphaticRings | 4 |