General Characteristics
| NatID | 1400 |
| Common Name | NatID_1400 |
| Molecular Formula | C25H50O |
| Chemical Class | Prenol lipids > Sesterterpenoids |
| Molecular Weight | 366.386 g/mol |
| Other names |
Representations
| Smiles | C/C(=C\CO)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C |
| Inchi | InChI=1S/C25H50O/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-26/h19,21-24,26H,7-18,20H2,1-6H3/b25-19+ |
| Inchi Key | IRJHFRKRPYTYCQ-NCELDCMTSA-N |
| 3D Structure |
Calculated Properties
| clogP | 8.17 |
| TPSA | 20.23 |
| HBD | 1 |
| HBA | 1 |
| Rotatable Bonds | 17 |
| Aromatic Rings | 0 |
| Heavy Atoms | 26 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 1 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9986 | Croton hieronymi | No | High | Catalán, C. A. N., de Heluani, C. S., Kotowicz, C., Gedris, T. E., & Herz, W. (2003). A linear sesterterpene, two squalene derivatives and two peptide derivatives from Croton hieronymi. Phytochemistry, 64(2), 625–629. https://doi.org/10.1016/s0031-9422(03)00202-4 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||