TPCN00527
![[object Object]](../../static/browser_molecular_png/TPCN00527.png)
| Name | Melokhanines I |
| Molecular Formula | C21H24N2O3 |
| Molecular Weight | 352.43 |
| CAS Registry Number | 1997340-99-4 |
| SMILES | COC1CCN2CCc3c([nH]c4ccccc34)C3(C(=O)O)CCC=C1C23 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Melodinus khasianus | Aerial parts | 0.000168% | J Nat Prod, 2016, 79, 2158-2174. | 10.1021/acs.jnatprod.6b00011 |
Properties
| HBA | 5 | HBD | 2 |
| HeavyAtoms | 26 | AlogP | 2.86 |
| TPSA | 65.56 | RotatableBonds | 2 |
| FractionCSP3 | 0.48 | Rings | 5 |
| AromaticRings | 2 | AliphaticRings | 3 |