Info
| ID | 7008 |
| Metal | Rh |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"O": 2} |
| Abbreviation | Quercetin – based RhIII |
| SMILES | O.O=c1c([O-])c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.O=c1c([O-])c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.[Cl-] |
TUCAN
C30H18O14Rh/(1-24)(2-19)(3-23)(4-26)(5-22)(6-21)(7-27)(8-20)(9-28)(10-25)(11-53)(12-55)(13-62)(14-57)(15-54)(16-58)(17-61)(18-56)(19-37)(19-42)(20-35)(20-37)(21-31)(21-43)(22-25)(22-31)(23-27)(23-47)(24-36)(24-40)(25-38)(26-40)(26-45)(27-30)(28-30)(28-48)(29-36)(29-39)(29-45)(30-46)(31-34)(32-35)(32-41)(32-42)(33-34)(33-41)(33-51)(34-60)(35-60)(36-56)(37-55)(38-43)(38-57)(39-44)(39-52)(40-54)(41-49)(42-53)(43-58)(44-46)(44-50)(45-59)(46-59)(47-48)(47-61)(48-62)(61-63)(62-63)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 8.5 | — | 10.1016/j.molstruc.2022.132584 | 2022 |
| HeLa | 9.4 | — | 10.1016/j.molstruc.2022.132584 | 2022 |
| MCF-7 | 16 | — | 10.1016/j.molstruc.2022.132584 | 2022 |
| PC-3 | 18 | — | 10.1016/j.molstruc.2022.132584 | 2022 |
| Caco-2 | 22 | — | 10.1016/j.molstruc.2022.132584 | 2022 |
| WI-38 | 41 | — | 10.1016/j.molstruc.2022.132584 | 2022 |
Source-assisted 2D generator
Builds the drawing from source ligand graphs and explicit donor metadata, then uses Metal2D only for layout. Publication output uses black bonds without arrows or colour highlighting; validated octahedral enantiomers are encoded directly with solid and hashed wedge bonds.
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