General Characteristics
| NatID | 682 |
| Common Name | ent-8(14),15-pimaradiene-3β,18-diol |
| Molecular Formula | C20H32O2 |
| Chemical Class | Prenol lipids > Diterpenoids |
| Molecular Weight | 304.240 g/mol |
| Other names |
Representations
| Smiles | C=C[C@]1(C)C=C2CCC3[C@@](C)(CC[C@@H](O)[C@]3(C)CO)[C@@H]2CC1 |
| Inchi | InChI=1S/C20H32O2/c1-5-18(2)10-8-15-14(12-18)6-7-16-19(15,3)11-9-17(22)20(16,4)13-21/h5,12,15-17,21-22H,1,6-11,13H2,2-4H3/t15-,16?,17-,18+,19+,20-/m1/s1 |
| Inchi Key | OJSKJQFODPKTBT-JZMYCOCJSA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.08 |
| TPSA | 40.46 |
| HBD | 2 |
| HBA | 2 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 0 |
| Heavy Atoms | 22 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9688 | Gochnatia glutinosa | No | Very High | García, E. E., Guerreiro, E., & Joseph-Nathan, P. (1985). Ent-pimaradiene diterpenes from gochnatia glutinosa. Phytochemistry, 24(12), 3059–3060. https://doi.org/10.1016/0031-9422(85)80059-5 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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