TPCN05656
![[object Object]](../../static/browser_molecular_png/TPCN05656.png)
| Name | Nigranoic acid (3,4-secocycloarta-4(28),24-(Z)-diene-3,26-dioic acid |
| Molecular Formula | C30H46O4 |
| Molecular Weight | 470.69 |
| CAS Registry Number | 39111-07-4 |
| SMILES | C=C(C)C1CCC2C3(C)CCC(C(C)CCC=C(C)C(=O)O)C3(C)CCC23CC13CCC(=O)O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Schisandraceae | Schisandra sphaerandra | Stems | 2.533589% | J Nat Prod. 1996 May;59(5):525-7. | 10.1021/np960149h |
Properties
| HBA | 4 | HBD | 2 |
| HeavyAtoms | 34 | AlogP | 7.49 |
| TPSA | 74.60 | RotatableBonds | 9 |
| FractionCSP3 | 0.80 | Rings | 4 |
| AromaticRings | 0 | AliphaticRings | 4 |