TPCN00087
![[object Object]](../../static/browser_molecular_png/TPCN00087.png)
| Name | 7-O-methyl-N-deacetylisoipecosidic acid, |
| Molecular Formula | C25H33NO11 |
| Molecular Weight | 523.54 |
| CAS Registry Number | 342036-86-6 |
| SMILES | C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC1NCCc2cc(O)c(OC)cc21 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Cornaceae | Alangium lamarckii | Fruits | 0.007656% | Phytochemistry, 2001, 56, 623-630. | 10.1016/s0031-9422(00)00417-9 |
Properties
| HBA | 12 | HBD | 7 |
| HeavyAtoms | 37 | AlogP | -0.46 |
| TPSA | 187.40 | RotatableBonds | 8 |
| FractionCSP3 | 0.56 | Rings | 4 |
| AromaticRings | 1 | AliphaticRings | 3 |