TPCN01587
![[object Object]](../../static/browser_molecular_png/TPCN01587.png)
| Name | Madolin B |
| Molecular Formula | C15H22O3 |
| Molecular Weight | 250.34 |
| CAS Registry Number | 205239-54-9 |
| SMILES | CC12CCC3C(C=C(C(=O)O)CCC1O2)C3(C)C |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apiaceae | Valeriana amurensis | Roots | 0.000293% | Fitoterapia 96: 18-24.(2014) | 10.1016/j.fitote.2014.03.025 |
Properties
| HBA | 3 | HBD | 1 |
| HeavyAtoms | 18 | AlogP | 3.00 |
| TPSA | 49.83 | RotatableBonds | 1 |
| FractionCSP3 | 0.80 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |