General Characteristics
| NatID | 1304 |
| Common Name | NatID_1304 |
| Molecular Formula | C20H32O2 |
| Chemical Class | Fatty Acyls > Fatty alcohols |
| Molecular Weight | 304.240 g/mol |
| Other names |
Representations
| Smiles | C/C(=C\CO)CC[C@]1(C)C2=CC(=O)CC(C)(C)[C@H]2CC[C@H]1C |
| Inchi | InChI=1S/C20H32O2/c1-14(9-11-21)8-10-20(5)15(2)6-7-17-18(20)12-16(22)13-19(17,3)4/h9,12,15,17,21H,6-8,10-11,13H2,1-5H3/b14-9+/t15-,17+,20+/m1/s1 |
| Inchi Key | NSPVQWDBJCPQCW-CUBNSGRUSA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.68 |
| TPSA | 37.30 |
| HBD | 1 |
| 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 |
|---|---|---|---|---|
| 9620 | 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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