TPCN01444
![[object Object]](../../static/browser_molecular_png/TPCN01444.png)
| Name | 1b,9aH-5-linoleoyloxy-4,5-secocaryophyllen-4-on |
| Molecular Formula | C33H56O3 |
| Molecular Weight | 500.81 |
| CAS Registry Number | 1350721-02-6 |
| SMILES | C=C(CCCOC(=O)CCCCCCCC=CCC=CCCCCC)C1CC(C)(C)C1CCC(C)=O |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Inula caspica | Aerial parts | 0.000453% | Eur J Med Chem 46(11): 5408-5415.(2011) | 10.1016/j.ejmech.2011.08.047 |
Properties
| HBA | 3 | HBD | 0 |
| HeavyAtoms | 36 | AlogP | 9.71 |
| TPSA | 43.37 | RotatableBonds | 22 |
| FractionCSP3 | 0.76 | Rings | 1 |
| AromaticRings | 0 | AliphaticRings | 1 |