TPCN00863
![[object Object]](../../static/browser_molecular_png/TPCN00863.png)
| Name | Selina-4,11(13)-dien-3-on-12-oic acid |
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.32 |
| CAS Registry Number | 62458-42-8 |
| SMILES | C=C(C(=O)O)C1CCC2(C)CCC(=O)C(C)=C2C1 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Varthemia iphionoides | Aerial parts | 0.025000% | J Ethnopharmacol 97, 237-240.（2005） | 10.1016/j.jep.2004.11.007 |
Properties
| HBA | 3 | HBD | 1 |
| HeavyAtoms | 18 | AlogP | 3.11 |
| TPSA | 54.37 | RotatableBonds | 2 |
| FractionCSP3 | 0.60 | Rings | 2 |
| AromaticRings | 0 | AliphaticRings | 2 |