In Vitro Antibacterial and Antioxidant Activities and Molecular Docking Analysis of Phytochemicals from Cadia purpurea Roots

Table 2

¹H (400 MHz), ¹³C, and DEPT-135 (100 MHz) NMR spectral information (in CD₃OD, δ in ppm, J in Hz) of compound 2.

Compound 2				Calpurnine [22]
C/H	δ^1H	δ^13C	DEPT-135	δ13C
1	—	—	—	—
2	—	172.8	Q (C=O)	171.6
3	2.53–2.60 (m)	32.3	-CH2-C=O	33.1
4	1.62–1.71 (m)	18.9	-CH2-	19.5
5	1.62–1.71 (m)	25.64	-CH2-	26.6
6	3.63–3.69 (m)	60.7	-CH-N-	60.7
7	1.86–1.89 (m)	33.9	-CH-	34.2
8	1.42–1.49 (m)	26.7	-CH2-	27.3
9	1.86–1.89 (m)	32.2	-CH-	32.6
10	4.47–4.52 (tt, J = 4.46, 4.46)	46.6	-CH2-N-	46.9
11	2.65–2.69 (m)	57.9	-CH-N-	57.6
12	2.21–2.25 (m)	35.4	-CH2-C-O-	36.1
13	5.19–5.21 (t, J = 5.39)	67.7	-CH-O-	68.0
14	2.40–2.45 (m)	27.7	-CH2-C-O-	28.7
15	2.72–2.77 (m)	49.4	-CH2-	49.9
16	—	—	—	—
17	3.02–3.07 (m)	51.2	-CH2-N-	52.1
13-Pyrrolecarboxyl
1′	—	161.7	Q (C=O)	160.1
2′	—	122.2	Q	122.9
3′	5.01 (br s, 20 amine)	—	—	—
4′	7.01 (dd, J = 1.58, 1.37)	123.5	= CH-NH	123.4
5′	6.21–6.23 (dd, J = 2.26, 2.26	109.4	= CH-	110.3
6′	6.90–6.92 (dd, J = 1.32, 1.64)	115.6	= CH-	116.1