NatID | 259 |
Common Name | Undefined (C2) |
Molecular Formula | C20H24O5 |
Chemical Class | Prenol lipids > Terpene lactones |
Molecular Weight | 344.162 g/mol |
Other names | Bacchotricuneatin A |
Smiles | CC12CC(c3ccoc3)OC(=O)C1CCC13COC(=O)C1CCCC23 |
Inchi | InChI=1S/C20H24O5/c1-19-9-15(12-6-8-23-10-12)25-18(22)13(19)5-7-20-11-24-17(21)14(20)3-2-4-16(19)20/h6,8,10,13-16H,2-5,7,9,11H2,1H3 |
Inchi Key | ZFUFSPWRYCVMBH-UHFFFAOYSA-N |
3D Structure |
clogP | 3.64 |
TPSA | 65.74 |
HBD | 0 |
HBA | 5 |
Rotatable Bonds | 1 |
Aromatic Rings | 1 |
Heavy Atoms | 25 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 1 |
Number of NO | 5 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9910 | Laennecia sophiifolia | No | High | Simirgiotis, M., Favier, L., Rossomando, P., Tonn, C., Juarez, A., & Giordano, O. (2000). Phytochemical Study Conyza Sophiaefolia. Antiinflammatory Activity. Molecules, 5(12), 605–607. https://doi.org/10.3390/50300605 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
---|---|---|---|---|
Loading... |