Table 6 AI ligands details of ascorbic acid and curcumin.
No. | Smiles | 3D structures |
|---|---|---|
Ascorbic acid | ||
1. | O = C(O)C1CC(F)CN1C(= O)C(= O)O |
|
2. | O = C(O)C1CC(F)CN1C(= O)C(O)CO |
|
3. | O = C(O)C1CC(F)CN1C(= O)C(O)c1cccc(F)c1 |
|
4. | O = C(O)C1CC(F)CN1C(= O)O |
|
5. | O = C(O)C1COCCN1C(= O)C(= O)O |
|
6. | O = C(O)C1CC(F)CN1C(= O)CO |
|
Curcumin | ||
1. | COc1ccc(CCCCC(= O)N2CC(C(= O)O)c3cc(F)ccc32)cc1OC |
|
2. | COc1cc(C = CC(= O)CCC(= O)Nc2ccc3c(c2)OCCO3)ccc1OC(F)F |
|
3. | COc1ccc(CCCCCC(= O)N2CC(= O)Nc3cc(OC)ccc32)cc1OC |
|
4. | COc1cc(CCC(= O)OCCCCOc2ccc(C)c(F)c2)cc(OC)c1 |
|
5. | COc1cc(CCC(= O)OCCCCc2ccc(OC)cc2)cc(OC)c1O |
|
6. | COc1cc(CCC(= O)NCCCCOc2ccc(F)cc2)cc(OC)c1OC |
|
