General Characteristics
| NatID | 1311 |
| Common Name | NatID_1311 |
| Molecular Formula | C20H34O2 |
| Chemical Class | Prenol lipids > Diterpenoids |
| Molecular Weight | 306.256 g/mol |
| Other names |
Representations
| Smiles | CC1=CC[C@@H]2C(C)(C)C[C@@H](O)C[C@@]2(C)[C@@H]1CC/C(C)=C/CO |
| Inchi | InChI=1S/C20H34O2/c1-14(10-11-21)6-8-17-15(2)7-9-18-19(3,4)12-16(22)13-20(17,18)5/h7,10,16-18,21-22H,6,8-9,11-13H2,1-5H3/b14-10+/t16-,17-,18-,20+/m1/s1 |
| Inchi Key | HDOKDSAUCWGBQQ-ZXSMNVAJSA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.47 |
| TPSA | 40.46 |
| HBD | 2 |
| HBA | 2 |
| Rotatable Bonds | 4 |
| Aromatic Rings | 0 |
| Heavy Atoms | 22 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9630 | Baccharis grisebachii | No | Very High | Feresin, G. E., Tapia, A., Gimenez, A., Ravelo, A. G., Zacchino, S., Sortino, M., & Schmeda-Hirschmann, G. (2003). Constituents of the Argentinian medicinal plant Baccharis grisebachii and their antimicrobial activity. Journal of Ethnopharmacology, 89(1), 73–80. https://doi.org/10.1016/s0378-8741(03)00259-9 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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