TPCN01720
![[object Object]](../../static/browser_molecular_png/TPCN01720.png)
| Name | 8??-O-(4-hydroxy-2-methylenebutanoyloxy)melitensine |
| Molecular Formula | C20H28O6 |
| Molecular Weight | 364.44 |
| CAS Registry Number | 1032162-52-9 |
| SMILES | C=CC1(C)CC(OC(=O)C(=C)CCO)C2C(C)C(=O)OC2C1C(=C)CO |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Centaurea pullata | Aerial parts | 0.000167% | Bioorg Med Chem 16(7): 3725-3731.(2008) | 10.1016/j.bmc.2008.01.056 |
Properties
| HBA | 6 | HBD | 2 |
| HeavyAtoms | 26 | AlogP | 1.78 |
| TPSA | 93.06 | RotatableBonds | 7 |
| FractionCSP3 | 0.60 | Rings | 2 |
| AromaticRings | 0 | AliphaticRings | 2 |