TPCN00970
![[object Object]](../../static/browser_molecular_png/TPCN00970.png)
| Name | 15-dechloro-15-hydroxychlorojanerin;Aitchisonolide |
| Molecular Formula | C19H24O8 |
| Molecular Weight | 380.39 |
| CAS Registry Number | 115334-00-4 |
| SMILES | C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(O)(CO)C2C2OC(=O)C(=C)C12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Cousinia aitchisonii | Whole plants | 0.005900% | Phytother Res 30(2): 222-226.(2016) | 10.1002/ptr.5519 |
| Asteraceae | Centaurea solstitialis | Stems | 0.001800% | Comb Chem High Throughput Screen 19(1): 66-72.（2016） | 10.2174/1386207319666151203002117 |
Properties
| HBA | 8 | HBD | 4 |
| HeavyAtoms | 27 | AlogP | -0.78 |
| TPSA | 133.52 | RotatableBonds | 4 |
| FractionCSP3 | 0.58 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |