Based on UPLC-Q-TOF-MS/MS, Systematic Network Pharmacology, and Molecular Docking to Explore the Potential Mechanism of Fructus Aurantii for Major Depression Disorder

Table 1

Identification of chemical constituents of FA immaturus ethanol extract.

No	Molecular formula	Extraction mass (Da)	Error (ppm)	tR/(min)	Identity	Classification	Ref.
1	C27H30O15	511.1658	2.8	3.73	Lonicerin	Flavonoid	[20]
2	C15H12O6	289.0707	0.2	4.98	Eriodictyol	Coumarin	[21]
3	C22H24O9	433.1493	1.6	20.45	3′,4′,3,5,6,7,8-Heptamethoxyflavone	Flavonoid	[22]
4	C27H32O15	597.1814	2.3	4.99	Neoeriocitrin	Flavonoid	[20]
5	C27H32O15	597.1814	2.3	4.7	Eriocitrin	Flavonoid	[20]
6	C10H10O4	195.0652	−2.8	5.37	Ferulic acid	Total phenolic acids	[20]
7	C16H1406	303.0863	0.6	6.88	Hesperetin	Flavonoid	[21]
8	C27H32O14	581.1865	2.4	5.67	Narirutin	Flavonoid	[21]
9	C15H12O5	273.0758	−1	12.04	Naringenin	Flavonoid	[21]
10	C21H22O10	435.1286	1.2	6.07	Naringenin-7-O-glucoside	Flavonoid	[20]
11	C22H24O11	465.1391	0.8	6.87	Hesperetin-7-O-glucoside	Flavonoid	[21]
12	C28H34O15	611.1971	1.6	6.42	Hesperidin	Flavonoid	[20]
13	C27H32O14	581.1865	2.4	6.06	Naringin	Flavonoid	[23]
14	C28H34O15	611.1971	1.6	6.87	Neohesperidin	Flavonoid	[23]
15	C22H24O11	465.1391	0.8	7.24	Eriodictiol-7-O-glucoside	Flavonoid	[21]
16	C15H16O4	261.1121	−0.9	16.22	Isomerancin	Coumarin	[20]
17	C15H16O4	261.1121	−0.9	8.22	Meranzin	Coumarin	[20]
18	C15H18O5	279.1227	−0.1	8.23	Meranzin hydrate	Coumarin	[20]
19	C11H6O4	203.0339	−2.7	9.36	Xanthotoxol	Coumarin	[20]
20	C26H27O14	564.1474	2.6	9.86	Isonaringin	Flavonoid	[20]
21	C16H14O5	287.0914	−0.8	10.45	Prangenin	Coumarin	[21]
22	C16H14O5	287.0914	−0.8	10.47	Isosakuranetin	Flavonoid	[21]
23	C28H34O14	595.2021	1.7	6.88	Poncirin (isosakuranetin-7-O-neohesperidoside)	Flavonoid	[21]
24	C28H34O14	595.2021	1.7	8.22	Neoponcirin	Flavonoid	[21]
25	C28H34O14	595.2021	1.7	9.85	Isosakuranetin-7-O-rutinoside	Flavonoid	[21]
26	C28H34O14	595.2021	1.7	5.89	Poncirin	Flavonoid	[20]
27	C18H16O6	329.102	0.3	11.53	4′-Hydroxy-5,6,7-trimethoxyflavone	Flavonoid	[22]
28	C12H8O4	217.0495	−2.3	14.77	Bergapten	Coumarin	[20]
29	C19H24O5	333.1697	0.5	14.93	Marmin	Coumarin	[20]
30	C19H18O6	343.1176	−0.5	16.98	5,7,8,4′-Tetramethoxyflavone	Flavonoid	[22]
31	C19H18O6	343.1176	−0.5	16.99	5,6,7,4′-Tetramethoxyflavone	Flavonoid	[22]
32	C19H18O6	343.1176	−0.5	19.08	3′, 4′,7,8-Tetramethoxyflavone	Flavonoid	[22]
33	C19H18O6	343.1176	−0.5	11.08	Scutellarein	Flavonoid	[21]
34	C21H22O8	403.1387	0.6	19.04	3,5,7,8,3′, 4′-Hexamethoxyflavone	Flavonoid	[22]
35	C21H22O8	403.1387	0.6	19.05	Nobiletin	Flavonoid	[20]
36	C28H34O9	515.2276	1	19.75	Nomilin	Limonoid	[22]
37	C20H20O7	373.1282	0.7	15.04	5,7,8,3′,4′-Pentamethoxyflavone	Flavonoid	[22]
38	C20H20O7	373.1282	0.7	16.72	Auranetin	Flavonoid	[21]
39	C20H20O7	373.1282	0.7	21.15	Tangeretin	Flavonoid	[23]
40	C20H20O7	373.1282	0.7	16.97	Sinensetin	Flavonoid	[20]
41	C20H20O7	373.1282	0.7	16.72	Isosinensetin	Flavonoid	[21]
42	C21H22O9	419.1337	1.1	21.27	Natsudaidain	Flavonoid	[20]
43	C20H20O8	389.1231	0.2	[23].07	5-Demethylnobiletin	Flavonoid	[22]
44	C9H6O3	163.039	−4.1	5.33	Umbelliferone	Coumarin	[20]
45	C19H22O3	299.1642	−0.3	29.63	Auraptene	Coumarin	[24]
46	C26H30O8	471.2013	−4	17.47	Limonin	Limonoid	[22]