TPCN02226
![[object Object]](../../static/browser_molecular_png/TPCN02226.png)
| Name | Neocaesalpins I |
| Molecular Formula | C20H26O4 |
| Molecular Weight | 330.42 |
| CAS Registry Number | 864059-49-4 |
| SMILES | CC1C2=CC(=O)OC2=CC2C1CCC1C(C)(C(=O)O)CCCC21C |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Fabaceae | Caesalpinia crista | Leaves | 0.006048% | Chem Pharm Bull (Tokyo) 53, 717-720 (2005). | 10.1248/cpb.53.717 |
Properties
| HBA | 4 | HBD | 1 |
| HeavyAtoms | 24 | AlogP | 3.93 |
| TPSA | 63.60 | RotatableBonds | 1 |
| FractionCSP3 | 0.70 | Rings | 4 |
| AromaticRings | 0 | AliphaticRings | 4 |