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