General Characteristics
| NatID | 385 |
| Common Name | Epicubenol |
| Molecular Formula | C15H24O |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 220.183 g/mol |
| Other names |
Representations
| Smiles | CC1=C[C@H]2C(=C(C)C)CC[C@@H](C)[C@@]2(O)CC1 |
| Inchi | InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9,12,14,16H,5-8H2,1-4H3/t12-,14+,15+/m1/s1 |
| Inchi Key | RLQQLZPOMNLHJN-SNPRPXQTSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.84 |
| TPSA | 20.23 |
| HBD | 1 |
| HBA | 1 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 16 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 1 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9990 | 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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