TPCN02284
![[object Object]](../../static/browser_molecular_png/TPCN02284.png)
| Name | Agurtaquinone |
| Molecular Formula | C20H20O5 |
| Molecular Weight | 340.38 |
| CAS Registry Number | 172923-90-9 |
| SMILES | COC1=C(C(C)C)C(=O)c2c(O)cc3c(c2C1=O)C=CC(=O)C3(C)C |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lamiaceae | Agastache rugosa | Roots | 0.003333% | J Nat Prod 58, 1718-1721 (1995). | 10.1021/np50125a011 |
Properties
| HBA | 5 | HBD | 1 |
| HeavyAtoms | 25 | AlogP | 3.20 |
| TPSA | 80.67 | RotatableBonds | 2 |
| FractionCSP3 | 0.35 | Rings | 3 |
| AromaticRings | 1 | AliphaticRings | 2 |