TPCN04216
![[object Object]](../../static/browser_molecular_png/TPCN04216.png)
| Name | Isoceanothic acid |
| Molecular Formula | C30H46O5 |
| Molecular Weight | 486.69 |
| CAS Registry Number | 2739-72-2 |
| SMILES | C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)C(C(=O)O)C(O)C(C)(C)C5CCC43C)C12 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Euphorbiaceae | Breynia fruticosa | Roots | 0.008482% | J Nat Prod 74(5): 1161-1168. | 10.1021/np2000914 |
Properties
| HBA | 5 | HBD | 3 |
| HeavyAtoms | 35 | AlogP | 6.01 |
| TPSA | 94.83 | RotatableBonds | 3 |
| FractionCSP3 | 0.87 | Rings | 5 |
| AromaticRings | 0 | AliphaticRings | 5 |