General Characteristics
| NatID | 345 |
| Common Name | 5-Demethylsinensetin |
| Molecular Formula | C19H18O7 |
| Chemical Class | Flavonoids > O-methylated flavonoids |
| Molecular Weight | 358.105 g/mol |
| Other names | 5-Demethylsinensetin |
Representations
| Smiles | COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1OC |
| Inchi | InChI=1S/C19H18O7/c1-22-12-6-5-10(7-14(12)23-2)13-8-11(20)17-15(26-13)9-16(24-3)19(25-4)18(17)21/h5-9,21H,1-4H3 |
| Inchi Key | QEWSAPKRFOFQIU-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.20 |
| TPSA | 87.36 |
| HBD | 1 |
| HBA | 7 |
| Rotatable Bonds | 5 |
| Aromatic Rings | 3 |
| Heavy Atoms | 26 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 1 |
| Number of NO | 7 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10018 | Stevia satureifolia | No | High | Beer, M. F., Frank, F. M., Germán Elso, O., Ernesto Bivona, A., Cerny, N., Giberti, G., Luis Malchiodi, E., Susana Martino, V., Alonso, M. R., Patricia Sülsen, V., & Cazorla, S. I. (2016). Trypanocidal and leishmanicidal activities of flavonoids isolated fromStevia satureiifoliavar.satureiifolia. Pharmaceutical Biology, 54(10), 2188–2195. https://doi.org/10.3109/13880209.2016.1150304 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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