TPCN01139
![[object Object]](../../static/browser_molecular_png/TPCN01139.png)
| Name | Isohelenalin |
| Molecular Formula | C15H18O4 |
| Molecular Weight | 262.31 |
| CAS Registry Number | 479-09-4 |
| SMILES | CC1=C2C(CC(C)C3C=CC(=O)C3(C)C2O)OC1=O |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Helenium microcephalum | Whole plants | 0.001857% | J Nat Prod 42(3): 282-286.(1979) | 10.1021/np50003a007 |
Properties
| HBA | 4 | HBD | 1 |
| HeavyAtoms | 19 | AlogP | 1.39 |
| TPSA | 63.60 | RotatableBonds | 0 |
| FractionCSP3 | 0.60 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |