General Characteristics
| NatID | 1169 |
| Common Name | NatID_1169 |
| Molecular Formula | C15H28O |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 224.214 g/mol |
| Other names |
Representations
| Smiles | CC(C)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1 |
| Inchi | InChI=1S/C15H28O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h11-13,16H,5-10H2,1-4H3/t12-,13-,14-,15-/m1/s1 |
| Inchi Key | PWTWAHBPEXYEQQ-KBUPBQIOSA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.00 |
| TPSA | 20.23 |
| HBD | 1 |
| HBA | 1 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 0 |
| Heavy Atoms | 16 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 1 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9402 | Flourensia oolepis | No | Very High | Guerreiro, E., Kavka, J., Giordano, O. S., & Gros, E. G. (1979). Sesquiterpenoids and flavonoids from Flourensia oolepis. Phytochemistry, 18(7), 1235–1237. https://doi.org/10.1016/0031-9422(79)80148-x |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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