General Characteristics
2D structure
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