number | chemical name | source | DTP score | Rat oral LD50 | Ames score | Libscord |
MOL004350 | Ruvoside-qt | Houttuynia cordata | 5.06455 | 6.38 | −37.5247 | 140.465 |
MOL012225 | 3-[(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]propyl acetate | Lobelia chinensis Lour | 3.27856 | 4.15 | −30.4556 | 137.676 |
MOL005622 | tomentogenin | Cynanchum paniculatum (Bunge) Kitag | 0.47699 | 8.12 | −17.0531 | 130.195 |
MOL008203 | 14-deoxy-11-oxo-andrographolide | Andrographis paniculata (Burm. f.) Nees | −0.713909 | 2.84 | −21.9184 | 128.67 |
MOL008213 | 14-deoxy-12-methoxyandrographolide | Andrographis paniculata (Burm. f.) Nees | 0.689345 | 2.80 | −29.2365 | 124.441 |
MOL006957 | (3S,6S)-3-(benzyl)-6-(4-hydroxybenzyl)piperazine-2,5-quinone | Pinellia ternata | 3.64066 | 0.84 | −15.1692 | 120.725 |
MOL003851 | Isoramanone | Houttuynia cordata | 3.75027 | 1.81 | −28.9906 | 117.005 |