General Characteristics
| NatID | 1711 |
| Common Name | NatID_1711 |
| Molecular Formula | C15H22O3 |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 250.157 g/mol |
| Other names | 655243-24-6 |
Representations
| Smiles | CC1=C2[C@H](O)C(C)(C)[C@H](O)[C@H]3C[C@@]3(C)[C@H]2CC1=O |
| Inchi | InChI=1S/C15H22O3/c1-7-10(16)5-8-11(7)13(18)14(2,3)12(17)9-6-15(8,9)4/h8-9,12-13,17-18H,5-6H2,1-4H3/t8-,9+,12+,13-,15-/m0/s1 |
| Inchi Key | XHCBDRQGSZIZOX-LLSOINDXSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.68 |
| TPSA | 57.53 |
| HBD | 2 |
| HBA | 3 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 18 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 3 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10433 | Porella swartziana | No | Low | Bovi Mitre, G., Kamiya, N., Bardón, A., & Asakawa, Y. (2003). Africane-Type Sesquiterpenoids from the Argentine Liverwort Porella swartziana and Their Antibacterial Activity. Journal of Natural Products, 67(1), 31–36. https://doi.org/10.1021/np030074z |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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