TPCN06066
![[object Object]](../../static/browser_molecular_png/TPCN06066.png)
| Name | Ichanexic acid |
| Molecular Formula | C26H32O11 |
| Molecular Weight | 520.53 |
| CAS Registry Number | 1044818-57-6 |
| SMILES | CC(C)(O)C1CC(=O)C2(C)C(CCC3(C)C(C4=CC(O)OC4=O)OC(=O)C4OC432)C12COC(=O)CC2O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rutaceae | Citrus aurantium | Seeds | 0.001458% | Bioorg Med Chem . 2008 Jun 1;16(11):5939-51 | 10.1016/j.bmc.2008.04.063 |
Properties
| HBA | 11 | HBD | 3 |
| HeavyAtoms | 37 | AlogP | -0.07 |
| TPSA | 169.19 | RotatableBonds | 2 |
| FractionCSP3 | 0.77 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |