TPCN00771
![[object Object]](../../static/browser_molecular_png/TPCN00771.png)
| Name | Isorubraine |
| Molecular Formula | C25H26O4 |
| Molecular Weight | 390.48 |
| CAS Registry Number | 1160934-83-7 |
| SMILES | CC12CCC3C(C1)c1c(cc(O)c(C(=O)C=Cc4ccccc4)c1O2)OC3(C)C |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Zingiberaceae | Alpinia katsumadai | Seeds | 0.000015% | Bioorg Med Chem Lett, 2009, 19, 2728-2730. | 10.1016/j.bmcl.2009.03.117 |
Properties
| HBA | 4 | HBD | 1 |
| HeavyAtoms | 29 | AlogP | 5.49 |
| TPSA | 55.76 | RotatableBonds | 3 |
| FractionCSP3 | 0.40 | Rings | 5 |
| AromaticRings | 2 | AliphaticRings | 3 |