Network pharmacology and molecular docking study for biological pathway detection of cytotoxicity of the yellow jasmine flowers

El-Hawary, Seham S.; Albalawi, Marzough A; Montasser, Ayat O. S.; Ahmed, Shaimaa R.; Qasim, Sumera; Shati, Ali A.; Alfaifi, Mohammad Y.; Elbehairi, Serag Eldin I.; Hassan, Omnia F.; Sadakah, Abdelfattah A.; Mokhtar, Fatma A.

doi:10.1186/s12906-023-03987-w

BMC Complementary Medicine and Therapies

Table 1 Tentative identification of the chemical composition of aqueous methanolic extract of J. humile flower by HPLC–PDA-MS/MS

From: Network pharmacology and molecular docking study for biological pathway detection of cytotoxicity of the yellow jasmine flowers

No	Compound Name	R_t (min)	[M-H]⁻	MS/MS	UV	Ref
Simple phenols
1	^B* Tyrosol glucoside	11.35	299	137	272	[26]
2	^B* Tyrosol	12.70	137	119,93	272	[26]
3	^B* Chlorogenic acid	13.82	353	191, 179	281	[27]
4	Ethyl cinnamate	16.44	175	147	284	[28]
9	Sinapic acid glucoside	22.71	385	223,179,161	288	[27]
10	Rosmarimic acid glucoside	23.65	521	359,294,179	271,289	[27]
11	^B* Coumaric acid	24.75	163	119	280	[27]
Lignans
8	^B* Cycloolivil glucoside	21.19	537	375,327,195	n.d	[29]
14	^B* Cycloolivil	31.23	375	345, 195	n.d	[29]
Flavonoids
12	^B* Quercetin 3,7-diglucoside	28.18	625	463, 301	255, 350	[30]
13	Quercetin xylosyl glucoside	29.79	595	463, 301	255, 360	[30]
15	^A* Quercetin deoxyglucoside glucoside	32.44	609	463, 301	256, 358	[30]
16	^B* Quercetin 3-glucoside	33.6	463	301, 179	256, 359	[30]
17	Isorhamnetin-3-O- diglucoside	34.09	639	477, 315	255, 331	[31]
18	^B* Kaempferol deoxyhexosyl glucoside	34.95	593, 1187	447, 285	255, 347	[30]
19	Kaempferol 3-xyloside-7-glucoside	35.21	579	447, 285	256, 338	[30]
20	^B* kaempferol-3-O-D-glucoside	36.78	447	285	255, 343	[30]
22	Isorhamnetin-3-O-glucoside	39.33	477	315, 194	255, 331	[31]
30	Caffeoyl kaempferol pentoside	53.99	579	417, 285	267,284,341	[32]
Secoiridoids
5	Multiflorin glucoside	17.74	401	239	238	[33]
6	^A* Oleoside methyl ester	19.15	403	241, 223	233	[34]
7	^B* Oleoside	19.66	389	345, 241,209	230	[35]
21	^B* Jaslanceoside A	38.67	595	433,415,389	222, 288	[36]
23	^B* Jaslanceoside B	40.25	565	403,221,179	229,290	[36]
24	^A* Oleuropein	42.76	539	377,307	231,277	[26]
25	Isojaspolyanoside B glucoside	40.88	967	805, 403	234, 298	[37]
26	^B*Coumaroyl oleoside	45.08	535	389,345,163	230,286	[38]
27	^B* Methoxy oleoside	46.61	569	537, 389	232, 278	[35]
28	^B* Polyanoside	48.17	1071	713,489	233	[39]
29	Caffeoyl molihauside A	55.38	1137	975, 403	232, 283	[40]
31	^A* Ligstroside	50.46	523	477,221	228, 276	[26]
32	Caffeoyl secologanoside	59.35	551	389, 221	225,284	[38]
33	^B* jaspolyanoside	61.11	909	523, 233	229	[41]

A*Compounds identified from the same species
B*Compounds identified from the Jasminum genus

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ISSN: 2662-7671

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