General Characteristics
| NatID | 1486 |
| Common Name | NatID_1486 |
| Molecular Formula | C32H22O10 |
| Chemical Class | Flavonoids > Biflavonoids and polyflavonoids |
| Molecular Weight | 566.121 g/mol |
| Other names | 74336-91-7 |
Representations
| Smiles | COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4c(O)cc(O)c5c(=O)cc(-c6ccc(OC)cc6)oc45)c3o2)cc1 |
| Inchi | InChI=1S/C32H22O10/c1-39-17-7-3-15(4-8-17)25-13-23(37)27-19(33)11-21(35)29(31(27)41-25)30-22(36)12-20(34)28-24(38)14-26(42-32(28)30)16-5-9-18(40-2)10-6-16/h3-14,33-36H,1-2H3 |
| Inchi Key | XMFLYCKXVTYBRA-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 5.74 |
| TPSA | 159.80 |
| HBD | 4 |
| HBA | 10 |
| Rotatable Bonds | 5 |
| Aromatic Rings | 6 |
| Heavy Atoms | 42 |
| Aromatic Carbocycles | 4 |
| Aromatic Heterocycles | 2 |
| Number of NO | 10 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10126 | Phyllanthus sellowianus | No | Low | Hnatyszyn, O., Ferraro, G., & Coussio, J. D. (1987). A Biflavonoid from Phyllanthus sellowianus. Journal of Natural Products, 50(6), 1156–1157. https://doi.org/10.1021/np50054a027 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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