Phytochemicals Analysis, In Vitro Antibacterial Activities of Extracts, and Molecular Docking Studies of the Isolated Compounds from Melhania zavattarii Cufod Leaves

Table 4

¹H, ¹³C, and DEPT-135 NMR spectroscopic data (CDCl₃) of compound 2 and values in the literature for lutein [27].

Carbon no.	Compound 2			Lutein [27]
	δ^13C	DEPT-135	δ^1H	δ^13C	δ^1H
1	37.1	Q	—	37.1	—
2	48.4	-CH2	1.49 (1H, t, J = 12.0)	48.4	1.48 (1H, t, J = 12)
			1.79 (H, d, J = 12.8)		1.77 (1H, dt, J = 11.9)
3	65.1	OCH	4.02 (1H, m)	65.1	4.00 (1H, m)
4	42.5	-CH2	2.28–2.44 (1H, m)	42.6	2.33–2.42 (1H, m)
			2.09 (1H, s)		2.04 (1H, dd, J = 10, 17
5	126.2	Q	—	126.2	—
6	138.0	Q	—	137.7	—
7	125.6	=CH	6.11–6.14 (1H, m)	125.6	6.12 (1H, s)
8	138.5	=CH	6.11–6.14 (1H, m)	138.5	6.12 (H, s)
9	135.7	Q	—	135.7	—
10	131.3	=CH	6.18 (1H, m)	131.3	6.15 (1H, m)
11	124.9	=CH	6.60–6.69 (1H, m)	124.9	6.57–6.66 (1H, m)
12	137.8	=CH	6.38 (d, J = 14.5 Hz, 1H)	137.7	6.36 (1H, d, J = 15)
13	136.5	Q	—	136.5	—
14	132.6	=CH	6.27 (1H, d, J = 8.3)	132.6	6.25 (1H, br, J = 9)
15	130.1	=CH	6.60–6.69 (1H, m)	130.1	6.57–6.66 (1H, m)
16	28.7	-CH3	1.09 (3H, s)	28.7	1.07 (3H, s)
17	30.3	-CH3	1.09 (3H, s)	30.3	1.07 (3H, s)
18	21.6	-CH3	1.75 (3H, s)	21.6	1.73 (3H, s)
19	13.1	-CH3	1.98 (3H, s)	12.8	1.97 (3H, s)
20	12.8	-CH3	1.98 (3H, s)	12.8	1.97 (3H, s)
1′	34.1	Q	—	34.0	—
2′	44.7	-CH2	1.86 (1H, dd, J = 13.1, 5.8)	44.6	1.84 (1H, dd, J = 6, 13)
			1.38 (1H, m)		1.37 (2H, dd, J = 7, 13)
3′	65.9	OCH	4.27 (1H, br. s)	65.9	4.25 (1H, m)
4′	124.5	=CH	5.56 (1H, s)	124.5	5.54 (1H, s)
5′	138.0	Q	—	137.8	—
6′	55.0	-CH	2.28–2.44 (1H, m)	55.0	2.33–2.42 (2H, m)
7′	128.7	=CH	5.44 (1H, dd, J = 15.4, 9.9)	128.7	5.43 (1H, dd, J = 10 15.5)
8′	138.5	=CH	6.18 (1H, m)	138.0	6.15 (1H, m)
9′	135.1	Q	—	135.1	—
10′	130.8	=CH	6.18 (1H, m)	130.8	6.15 (1H, m)
11′	124.8	=CH	6.60–6.69 (1H, m)	124.5	6.57–6.66 (1H, m)
12′	137.6	=CH	6.38 (d, J = 14.5 Hz, 1H)	137.6	6.36 (1H, d, J = 15)
13′	136.4	Q	—	136.4	—
14′	132.6	=CH	6.27 (1H, d, J = 8.3)	132.6	6.25 (1H, br, J = 9)
15′	130.1	=CH	6.60–6.69 (1H, m)	130.1	6.57–6.66 (1H, m)
16′	24.3	-CH3	0.86 (3H, s)	24.3	0.84(3H, s)
17′	29.5	-CH3	1.01 (3H, s)	29.5	1.00 (3H, s)
18′	22.9	-CH3	1.64 (3H, s)	22.8	1.63 (s)
19′	13.1	-CH3	1.92 (3H, br, s)	13.1	1.91 (3H, s)
20′	12.8	-CH3	1.98 (3H, s)	12.8	1.97 (3H, s)
3-OH	—	—	4.02 (s)	—	3.36 (s)
3′-OH	—	—	—	—	—