TPCN01533
![[object Object]](../../static/browser_molecular_png/TPCN01533.png)
| Name | 1??-Hydroxyl-5??-chloro-8-epi-xanthatin |
| Molecular Formula | C15H19ClO4 |
| Molecular Weight | 298.77 |
| CAS Registry Number | 1609193-53-4 |
| SMILES | C=C1C(=O)OC2CC(C)C(O)(C=CC(C)=O)C(Cl)CC12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Xanthium sibiricum | Aerial parts | 0.000337% | Planta Med 79(8): 661-665.(2013) | 10.1055/s-0032-1328482 |
Properties
| HBA | 4 | HBD | 1 |
| HeavyAtoms | 20 | AlogP | 2.00 |
| TPSA | 63.60 | RotatableBonds | 2 |
| FractionCSP3 | 0.60 | Rings | 2 |
| AromaticRings | 0 | AliphaticRings | 2 |