Table 9.

The predicted toxicity of phytochemical constituents having higher affinity scores

Phytochemical constituent	AMES tox.	hERG I or II inhibition	Hepatotoxicity	Skin sensitization	Carcinogenicity	Human maximum tolerated dose (mg/kg/day)	Oral rat acute toxicity (mol/kg)	Oral rat chronic tox. (mg/kg_bw/day)
(−)-Epigallocatechin-5,7-gallate	No	hERG II	No	No	No	2.73	2.507	6.693
(−)-Epigallocatechin-7-gallate	Yes	hERG II	No	No	No	4.12	2.728	4.827
(+)-Catechin-3,5,-digallate	No	hERG II	No	No	No	2.37	2.506	6.19
(+)-Mollisacacidin	Yes	No	No	No	No	2.57	2.057	1.881
1,6-di-O-galloyl-beta-D-glucose	No	No	No	No	No	11.83	2.736	4.203
Acacetin	No	hERG II	No	No	No	5.74	2.558	1.467
Acanilol-1	Yes	hERG II	Yes	No	No	1.62	2.52	1.055
Acanilol-2	Yes	hERG II	No	No	No	1.65	2.256	1.865
Catechin	Yes	No	No	No	No	2.57	2.057	1.881
Chalconaringnen-4-O-beta-glucopyranoside	Yes	No	No	No	No	6.76	2.633	3.95
Dicatechin	No	hERG II	No	No	No	1.729	2.463	4.729
Digallic acid	Yes	hERG II	No	No	No	3.86	2.744	4.743
Ellagic acid	No	No	No	No	No	5.77	2.401	2.013
Epicatechin	Yes	No	No	No	No	2.57	2.057	1.881
γ-Sitosterol	No	hERG II	No	No	No	0.46	2.854	1.085
Kaempferol	No	No	No	No	No	8.13	2.301	2.699
Kaempferol-7-glucoside	Yes	hERG II	No	No	No	7.64	2.468	4.273
Leucocyanadin	Yes	No	No	No	No	9.4	2.175	2.974
Lupenone	No	hERG II	No	No	No	3.48	2.353	1.015
Lupeol	No	No	No	No	No	0.135	2.712	1.688
Melacacidin	Yes	No	No	No	No	10.47	2.092	3.379
Naringnen	No	hERG II	No	No	No	2.36	2.132	1.995
Naringnen-7-O-beta-glucopyranoside	Yes	No	No	No	No	4.73	2.583	4.019
Niloctane	No	No	No	No	No	0.27	2.419	1.788
Quercetin	No	No	No	No	No	11.07	2.221	2.997

The italic emphasis indicates desirable prosperity, the bold emphasis indicates undesirable prosperity

AMES tox. AMES toxicity