General Characteristics
| NatID | 1380 |
| Common Name | NatID_1380 |
| Molecular Formula | C17H14O8 |
| Chemical Class | Flavonoids > Flavans |
| Molecular Weight | 346.069 g/mol |
| Other names |
Representations
| Smiles | CC(=O)OC1C(=O)c2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1 |
| Inchi | InChI=1S/C17H14O8/c1-7(18)24-17-15(23)14-12(22)5-9(19)6-13(14)25-16(17)8-2-3-10(20)11(21)4-8/h2-6,16-17,19-22H,1H3 |
| Inchi Key | NPWRSXJQDKRXOR-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.76 |
| TPSA | 133.52 |
| HBD | 4 |
| HBA | 8 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 2 |
| Heavy Atoms | 25 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 8 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9851 | Tessaria dodoneifolia | No | High |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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