General Characteristics
| NatID | 1402 |
| Common Name | NatID_1402 |
| Molecular Formula | C30H50O |
| Chemical Class | Prenol lipids > Triterpenoids |
| Molecular Weight | 426.386 g/mol |
| Other names |
Representations
| Smiles | C=C(CC/C=C(\C)CCC=C(C)C)[C@@H](O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C |
| Inchi | InChI=1S/C30H50O/c1-24(2)14-9-16-26(5)18-11-19-28(7)21-13-23-30(31)29(8)22-12-20-27(6)17-10-15-25(3)4/h14-15,18,20-21,30-31H,8-13,16-17,19,22-23H2,1-7H3/b26-18+,27-20+,28-21+/t30-/m0/s1 |
| Inchi Key | MUINNOMLJWUSBP-NMDYEXQKSA-N |
| 3D Structure |
Calculated Properties
| clogP | 9.58 |
| TPSA | 20.23 |
| HBD | 1 |
| HBA | 1 |
| Rotatable Bonds | 16 |
| Aromatic Rings | 0 |
| Heavy Atoms | 31 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 1 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9988 | 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 |
|---|---|---|---|---|
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