Evidence-Based Complementary and Alternative Medicine

Research Article

Pharmacological Characteristics of the Hydroethanolic Extract of Acmella oleracea (L) R. K. Jansen Flowers: ADME/Tox In Silico and In Vivo Antihypertensive and Chronic Toxicity Evaluation

Table 3

Toxicity and probability predictions for the toxic targets of spilanthol, D-limonene, and scopoletin found in the hydroethanolic extract of flowers of A. oleracea and toxicity model report.


Compounds	Spilanthol		D-limonene		Scopoletin

LD₅₀ toxic (mg/kg)	4,378		4,400		3,800
Risk class	V		V		V

Toxicity model report	Prediction	Probability (%)	Prediction	Probability (%)	Prediction	Probability (%)

Hepatotoxicity	Inactive	86	Inactive	76	Inactive	69
Carcinogenicity	Inactive	61	Inactive	65	Active	53
Immunotoxicity	Inactive	98	Inactive	95	Active	54
Mutagenicity	Inactive	80	Inactive	97	Inactive	56
Cytotoxicity	Inactive	75	Inactive	82	Inactive	91
Aryl hydrocarbon receptor (AhR)	Inactive	97	Inactive	1.0	Active	51
Androgen receptor (AR)	Inactive	99	Inactive	99	Inactive	99
Androgen receptor ligand binding domain (AR-LBD)	Inactive	99	Inactive	100	Inactive	78
Aromatase	Inactive	98	Inactive	99	Inactive	89
Estrogen receptor alpha (ER)	Inactive	93	Inactive	84	Inactive	71
Estrogen receptor ligand binding domain (ER-LBD)	Inactive	99	Inactive	100	Inactive	70
Peroxisome proliferator activated receptor gamma (PPAR-gamma)	Inactive	99	Inactive	100	Inactive	95
Nuclear factor (erythroid-derived 2)-like 2/antioxidant responsive element (nrf2/ARE)	Inactive	98	Inactive	98	Inactive	96
Heat shock factor response element (HSE)	Inactive	98	Inactive	98	Inactive	96
Mitochondrial membrane potential (MMP)	Inactive	97	Inactive	100	Inactive	53
Phosphoprotein (tumor supressor) p53	Inactive	99	Inactive	100	Inactive	87
ATPase family AAA domain-containing protein 5 (ATAD5)	Inactive	99	Inactive	100	Inactive	75

Class I: fatal if swallowed (LD₅₀ ≤ 5); Class II: fatal if swallowed (5 < LD₅₀ ≤ 50); Class III: toxic if swallowed (50 < LD₅₀ ≤ 300); Class IV: harmful if swallowed (300 < LD₅₀ ≤ 2000); Class V: may be harmful if swallowed (2000 < LD₅₀ ≤ 5000); Class VI: nontoxic (LD₅₀ > 5000).