General Characteristics
| NatID | 414 |
| Common Name | Ent-4β,10R-dihydroxyaromadendrane,Ent-4Beta,10Alpha-Dihydroxyaromadendrane |
| Molecular Formula | C15H26O2 |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 238.193 g/mol |
| Other names | 70000-15-6 |
Representations
| Smiles | CC1(C)[C@H]2CC[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@@H]3[C@H]21 |
| Inchi | InChI=1S/C15H26O2/c1-13(2)9-5-7-14(3,16)10-6-8-15(4,17)12(10)11(9)13/h9-12,16-17H,5-8H2,1-4H3/t9-,10-,11-,12-,14-,15+/m0/s1 |
| Inchi Key | DWNPMJOWAWGIMM-KPRRGPHJSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.58 |
| TPSA | 40.46 |
| HBD | 2 |
| HBA | 2 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 17 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9834 | Porella chilensis | No | High | Gilabert, M., Ramos, A. N., Schiavone, M. M., Arena, M. E., & Bardón, A. (2011). Bioactive Sesqui- and Diterpenoids from the Argentine LiverwortPorella chilensis. Journal of Natural Products, 74(4), 574–579. https://doi.org/10.1021/np100472d |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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