Table 1.
Representatives of the compounds selected using the NCI compounds database.
| # | Compound Name | Chemical Formula | NSC ID | 2D Structure | Cluster |
|---|---|---|---|---|---|
| 1 | 2-[Diethyl-[(4-hydroxy-6-oxo-1H-pyrimidin2-yl)sulfanyl]stannyl] sulfanyl-4-hydroxy-1H-pyrimidin-6-one | C12H16N4O4S2Sn | NSC 356199 |
|
A |
| 2 | 5-[(E)-Hydroxyimino methyl]-2-methoxy-3-methyl-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-4-one | C13H20N4O8 | NSC 607158 |
|
A |
| 3 | 2-[2-Hydroxyethyl (methyl)amino]-1-[3,4,5-trihydroxy-6-(hydroxymethyl) oxan-2-yl]-5,6,7,8-tetrahydroquinazolin-4-one | C17H27N3O7 | NSC 652577 |
|
A |
| 4 | 2-[[4-Amino-1-[3,4-dihydroxy-5-(hydro xymethyl)oxolan-2-yl]pyrimidin-2-ylidene]amino]-3-hydroxypropanoic acid | C12H18N4O7 | NSC 164854 |
|
B |
| 5 | Barbaloin | C21H22O9 | NSC 227189 |
|
B |
| 7 | Salicin | C13H18O7 | NSC 5751 |
|
B |
| 8 | Shikonin glucoside | C22H26O10 | NSC 289509 |
|
B |
| 9 | Hyperoside | C21H20O12 | NSC 407304 |
|
B |
| 10 | 2-(Hydroxymethyl)-6-[5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-yl]oxyoxane-3,4,5-triol | C15H23NO8 | NSC 638029 |
|
B |
| 11 | Aloin A | C21H22O9 | NSC 374116 |
|
A, B |
| 12 | 1,3,8-Trihydroxy-6-(hydroxymethyl)-10-[3, 4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one | C21H22O10 | NSC 658575 |
|
A, B |