The promising guide to LC–MS analysis and cholinesterase activity of Luffa cylindrica (L.) fruit using in vitro and in-silico analyses

Future Journal of Pharmaceutical Sciences

Table 4 Identification of constituents by LCMS analysis

Compounds	RT (min)	Molecular mass	Abundance	Molecular formula	Hits (DB)	BBB passage
Prolyl-arginine	1.428	271.1645	342,921	C₁₁H21N5O3	7	1
Mahaleboside	3.206	324.0833	145,936	C₁₅H₁₆O₈	1	1
Feruloylputrescine	3.519	264.1456	105,908	C₁₄H₂₀N₂0₃	8	1
Chlorogenic acid	4.033	354.0899	462	C₁₆H₁₈O₉	9	1
Crotanecine	4.435	171.0889	140,956	C₈H₁₃N0₃	4	1
15-Hydroxymarasmen-3-one	4.727	264.1353	422,747	C₁₅H₂₀0₄	10	0
Perlolyrine	6.362	264.279	81,774	C₁₆H₁₂N₂0₂	9	0
Phrymarolin I	6.291	488.1269	144,012	C₂₄H₂₄O₁₁	4	1
Diplodiatoxin	6.928	308.1979	47,386	C₁₈H₂₈0₄	10	0
Dihydrocapsaicin	7.318	307.2122	234,849	C₁₈H₂₉N0₃	3	0
Morindone	8.488	270.052	235,899	C₁₅H₁₀O₅	10	1
Corchorifatty acid	8.665	328.222	159,453	C₁₈H₃₂O₅	5	1
Polyporusterone B	15.364	476.3098	113,332	C₂₈H₄₄O₆	5	1
Camelledional	16.748	440.328	326,723	C₂₉H₄₄O₃	10	1
2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17beta-diol	16.961	322.2495	194,509	C₂₀H₃₄O₃	7	1
Taxa-4(20),11(12)-dien-5α,13α-diol	18.336	304.2392	369,304	C₂₀H₃₂O₂	10	1

All the compounds obtained following Lipinski’s rule of five with (a) not more than 5 hydrogen bond donors, (b) not more than 10 hydrogen bond acceptors, (c) molecular weight less than 500 g/mol, (d) partition coefficient log P less than 5. 1 in blood–brain barrier (BBB) passage indicates that it does not pass BBB and 0 indicates vice versa