Table 4.

Rate constants (k) and branching ratios (Γ) of reaction between scutellarein and OOH radical calculated at 298.15 K. k_total was calculated as the sum of the individual rate constants from the considered reaction paths, while k_overall is the sum of the rate constants for the different species present in solution at pH = 7.4.

Mechanism	k (M−1 s−1)	Γ (%)	k (M−1 s−1)	Γ (%)	k (M−1 s−1)	Γ (%)
	Pentylethenoate		Water
	H4A		H4A		H3A−
HAT (C5-OH)	4.40 × 10−4	0.00	1.04 × 101	0.15	3.92 × 103	0.76
HAT (C6-OH)	1.06 × 103	99.99	7.03 × 103	99.55	5.15 × 105	99.24
HAT (C7-OH)	1.10 × 10−1	0.01	2.01 × 101	0.28
HAT(C4′-OH)	-	-	1.41 × 100	0.02	4.42 × 100	0.00
RAF-(C4)					7.62 × 10−5	0.00
k total	1.06 × 103		7.06 × 103		5.19 × 105
k overall	1.06 × 103		3.80 × 103		2.23 × 105