TPCN05478
![[object Object]](../../static/browser_molecular_png/TPCN05478.png)
| Name | Quinatic acid |
| Molecular Formula | C29H44O4 |
| Molecular Weight | 456.67 |
| CAS Registry Number | 119863-89-7 |
| SMILES | C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lardizabalaceae | Holboellia coriacea | Stems | 0.000560% | Molecules. 2016. 21. | 10.3390/molecules21060734. |
Properties
| HBA | 4 | HBD | 3 |
| HeavyAtoms | 33 | AlogP | 5.74 |
| TPSA | 77.76 | RotatableBonds | 2 |
| FractionCSP3 | 0.83 | Rings | 5 |
| AromaticRings | 0 | AliphaticRings | 5 |