. Author manuscript; available in PMC: 2018 Apr 1.

Published in final edited form as: Biopharm Drug Dispos. 2017 Feb 14;38(3):251–259. doi: 10.1002/bdd.2061

Table 1.

Absorption model inputs

	Naringin	Naringenin	Hesperidin	DHB	Bergamottin	Nobiletin	Tangeretin
	[I]_GFJ (μM)
	6540 [38]	595 [39]	117 [30]	52.5 [40]	36.6 [40]	28.4^* [41]	78.4^* [42]
	Predicted physicochemical properties
Molar mass (daltons)	580.55	272.257	610.57	372.42	338.397	402.39	370.36
pK_a	9.94; 8.10	9.81; 9.12 7.38	9.71; 8.10	-	-	-	-
Diffusion coefficient	0.56	0.86	0.54	0.67	0.68	0.66	0.71
O:W partition	−0.26	2.42	−0.33	2.79	5.85	2.77	2.92
O:W distribution	−0.34	2.10	−0.40	2.79	5.85	2.77	2.92
P_eff (cm/s × 10⁴)	0.12	2.99	0.13	1.08	2.12	2.55	2.75
SW (mg/mL)	4.37	0.31	4.89	0.02	0.00	0.00	0.00
SL_{gastric fast} (mg/mL)	1.27	0.13	1.09	0.05	0.00	0.03	0.04
SL_{gut fast} (mg/mL)	1.46	0.36	1.31	0.03	0.00	0.04	0.03
SL_{gut fed} (mg/mL)	2.26	0.58	1.96	0.07	0.05	0.12	0.13
	Simulated f_a (%)
	27.27	99.65	44.58	98.62	99.83	99.90	99.94

[I]_GFJ, maximum reported concentration in grapefruit juice. O:W partition, octanol-water partition coefficient. O:W distribution, octanol-water distribution coefficient. P_eff, effective human jejunal permeability coefficient. SW, native water solubility. SL_{gastric fast}, solubility in GastroPlus^™ simulated gastric fluid in the fasted state. SL_{gut fast}, solubility in simulated intestinal fluid in the fasted state. SL_{gut fed}, solubility in simulated intestinal fluid in the fed state. DHB, 6′,7′-dihydroxybergamottin. f_a, fraction of the dose absorbed into enterocytes.

Concentration in flavedo (peel).