Table 2.

Absorption, distribution, metabolism, excretion, and toxicity prediction of alkaloids from D. ambrosioides hydroethanolic extract: (1) trisphaeridine, (2) galanthamine, (3) crinine, (4) demethylmaritidine, (5) anhydrolycorine, (6) nor-galanthamine,(7) n-formylnorgalanthamine, (8) peramine, and (9) ergovaline.

Compound No.		1	2	3	4	5	6	7	8	9
DrugLikeness	Lipinski’s Rule of Five	Yes	Yes	Yes	Yes	Yes	Yes	Yes	Yes	Yes
	Bioavailability Score (%)	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55
Absorption	Water Solubility	−3.91	−2.93	−2.82	−2.64	−3.81	−2.55	−3.17	−1.11	−4.59
	Caco2 Permeability	1.09	1.59	1.81	1.16	1.76	1.17	1.24	0.75	0.11
	Intestinal Absorption (Human) (%)	98.97	94.99	93.80	94.58	98.05	94.77	97	77.02	68.16
	Skin Permeability	−5.33	−6.75	−6.74	−6.90	−5.64	−6.99	−6.92	−8.23	−7.83
	P-glycoprotein Substrate	Yes	Yes	Yes	Yes	Yes	Yes	Yes	No	Yes
	P-glycoprotein Inhibitor	No	No	No	No	No	No	No	No	Yes
	P-glycoprotein Inhibitor	No	No	No	No	No	No	No	No	No
Distribution	VDss(human)	−0.02	0.89	0.88	1.05	0.66	0.88	0.14	0.55	0.91
	BBBpermeability	0.15	−0.08	−0.02	−0.15	0.25	−0.09	−0.32	−0.75	−0.64
	CNS permeability	−1.56	−2.51	−2.47	−2.92	−1.57	−2.90	−2.93	−3.36	−2.89
Metabolism	CYP2D6 Substrate	No	No	Yes	Yes	No	No	No	No	No
	CYP3A4 Substrate	Yes	Yes	Yes	Yes	Yes	Yes	Yes	No	Yes
	CYP2D6 Inhibitor	Yes	Yes	Yes	Yes	No	Yes	Yes	No	Yes
	CYP3A4 Inhibitor	Yes	No	No	No	No	No	No	No	No
Excretion	Total Clearance	0.21	0.99	1.12	1.07	0.14	1.09	1.02	0.58	0.47
	Renal OCT2 Substrate	No	Yes	No	No	No	No	No	No	No
Toxicity	AMES Toxicity	Yes	No	Yes	No	Yes	No	No	Yes	No
	Hepatotoxicity	Yes	Yes	Yes	No	No	Yes	No	No	No
	hERG I Inhibitor	No	No	No	No	No	No	No	No	No
	hERG II inhibitor	No	Yes	No	No	No	No	No	No	Yes
	Skin Sensitization	No	No	No	No	No	No	No	No	No
	Maximal Tolerated Dose	0.29	−0.42	−0.56	−0.77	−0.37	−0.33	−0.49	−0.16	−0.84
	Oral Rat Acute Toxicity (LD50)	2.61	2.72	2.47	2.75	2.25	2.64	3.01	2.54	3.17
	Oral Rat Chronic Toxicity (LOAEL)	2.03	0.96	1.2	1.45	1.58	1.25	0.69	2.31	2.81
	Minnow Toxicity	−0.32	1.67	2.24	2.09	0.42	2.09	2.08	1.89	3.37
	T. pyriformis toxicity	0.35	0.78	0.76	0.28	1.24	0.39	0.45	0.27	0.28