General Characteristics
| NatID | 244 |
| Common Name | 4-Thujanol |
| Molecular Formula | C10H18O |
| Chemical Class | Prenol lipids > Monoterpenoids |
| Molecular Weight | 154.136 g/mol |
| Other names | 4-Thujanol |
Representations
| Smiles | CC(C)[C@]12CC[C@](C)(O)[C@H]1C2 |
| Inchi | InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1 |
| Inchi Key | KXSDPILWMGFJMM-KXUCPTDWSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.19 |
| TPSA | 20.23 |
| HBD | 1 |
| HBA | 1 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 0 |
| Heavy Atoms | 11 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 1 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9895 | Porophyllum obscurum | No | High |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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