NatID | 69 |
Common Name | Padmatin 3-acetate |
Molecular Formula | C18H16O8 |
Chemical Class | Flavonoids > O-methylated flavonoids |
Molecular Weight | 360.085 g/mol |
Other names |
Smiles | COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](OC(C)=O)C2=O |
Inchi | InChI=1S/C18H16O8/c1-8(19)25-18-16(23)15-13(22)6-10(24-2)7-14(15)26-17(18)9-3-4-11(20)12(21)5-9/h3-7,17-18,20-22H,1-2H3/t17-,18+/m1/s1 |
Inchi Key | WWYQJKVSCKMFCP-MSOLQXFVSA-N |
3D Structure |
clogP | 2.06 |
TPSA | 122.52 |
HBD | 3 |
HBA | 8 |
Rotatable Bonds | 3 |
Aromatic Rings | 2 |
Heavy Atoms | 26 |
Aromatic Carbocycles | 2 |
Aromatic Heterocycles | 0 |
Number of NO | 8 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9585 | Baccharis aliena | No | Very High | Pacciaroni, A. del V., de los Angeles Gette, M., Derita, M., Ariza-Espinar, L., Gil, R. R., Zacchino, S. A., & Silva, G. L. (2008). Antifungal activity ofHeterothalamus alienus metabolites. Phytotherapy Research, 22(4), 524–528. https://doi.org/10.1002/ptr.2380 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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