TPCN00981
![[object Object]](../../static/browser_molecular_png/TPCN00981.png)
| Name | 1 ??,6?? dihydroxyisocostic acid methyl ester |
| Molecular Formula | C16H24O4 |
| Molecular Weight | 280.36 |
| CAS Registry Number | 163931-99-5 |
| SMILES | C=C(C(=O)OC)C1CCC2(C)C(O)CC=C(C)C2C1O |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Tanacetum praeteritum | Aerial parts | 0.005204% | Planta Med 62(5): 419-422.(1996) | 10.1055/s-2006-957930 |
Properties
| HBA | 4 | HBD | 2 |
| HeavyAtoms | 20 | AlogP | 1.82 |
| TPSA | 66.76 | RotatableBonds | 2 |
| FractionCSP3 | 0.69 | Rings | 2 |
| AromaticRings | 0 | AliphaticRings | 2 |