TPCN00799
![[object Object]](../../static/browser_molecular_png/TPCN00799.png)
| Name | 16-epi-isositsirikine (3S,4S)-N-oxide |
| Molecular Formula | C21H26N2O3 |
| Molecular Weight | 354.45 |
| CAS Registry Number | 60031-91-6 |
| SMILES | CC=C1CN2CCc3c([nH]c4ccccc34)C2CC1C(CO)C(=O)OC |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Uncaria rhynchophylla | Hooks | 0.000008% | J Nat Prod, 2019, 82, 3302-3310. | 10.1021/acs.jnatprod.9b00532 |
| Rubiaceae | Uncaria rhynchophylla | Stems | 0.000008% | Journal of Natural Products 83 | 10.1021/acs.jnatprod.9b00532 |
Properties
| HBA | 5 | HBD | 2 |
| HeavyAtoms | 26 | AlogP | 2.81 |
| TPSA | 65.56 | RotatableBonds | 3 |
| FractionCSP3 | 0.48 | Rings | 4 |
| AromaticRings | 2 | AliphaticRings | 2 |