General Characteristics
| NatID | 1348 |
| Common Name | NatID_1348 |
| Molecular Formula | C30H26O12 |
| Chemical Class | Flavonoids > Flavonoid glycosides |
| Molecular Weight | 578.142 g/mol |
| Other names |
Representations
| Smiles | O=C(/C=C\c1ccccc1)OC[C@@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O |
| Inchi | InChI=1S/C30H26O12/c31-17-9-7-16(8-10-17)28-29(25(36)23-19(33)12-18(32)13-20(23)40-28)42-30-27(38)26(37)24(35)21(41-30)14-39-22(34)11-6-15-4-2-1-3-5-15/h1-13,21,24,26-27,30-33,35,37-38H,14H2/b11-6-/t21-,24-,26+,27+,30+/m0/s1 |
| Inchi Key | GWZPLSXOUZIKAN-WDUJLNCOSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.02 |
| TPSA | 196.35 |
| HBD | 6 |
| HBA | 12 |
| Rotatable Bonds | 7 |
| Aromatic Rings | 4 |
| Heavy Atoms | 42 |
| Aromatic Carbocycles | 3 |
| Aromatic Heterocycles | 1 |
| Number of NO | 12 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9711 | Solanum elaeagnifolium | No | Very High | Chiale, C. A., Cabrera, J. L., & Juliani, H. R. (1991). Kaempferol 3-(6″-cis-cinnamoylglucoside) from Solanum elaeagnifolium. Phytochemistry, 30(3), 1042–1043. https://doi.org/10.1016/0031-9422(91)85310-v |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||