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Table 1 List of abundant small molecules present in CRACE fraction F10 and F29 and their relative abundance observed by HR-LCMS analysis

From: 1α, 25-dihydroxy Vitamin D3 containing fractions of Catharanthus roseus leaf aqueous extract inhibit preadipocyte differentiation and induce lipolysis in 3T3-L1 cells

Small MoleculesMolecular formulaRel. Abundance (%)Drug Likeness Score
CRACE F10
 1α, 25 - dihydroxy Vitamin D3C27H44O334.40.47
 Indole acrylic acidC11H9NO212.3−1.75
 Promazine sulfoxideC17H20N2OS9.30.98
 DehydroprotenoneC23H20O67.0−0.35
 Grayanotoxin1C22H36O76.4−0.39
 RanitidineC13H22N4O3S6.01.00
 N-(4-benzenesulfonamide) arachidonoyl amineC26H38N2O3S4.90.08
 9,12-octadecadienalC18H32O3.1−1.27
 7-aminonitrazepamC15H13N3O3.00.30
 Griseofulvic acidC16H15ClO62.9−0.06
 N-(1R-methyl-2-hydroxy-ethyl)α, α, dimethyl arachidonoyl amineC25H43NO22.8−0.48
 GlucosamineC6H13NO52.40.14
 MundoseroneC19H18O62.4−0.25
 18-bromo-17E-octadecenoic acidC18H21BrO22.10.06
 MethotimeprazineC19H24N2OS0.31.15
CRACE F29
 1α, 25- dihydroxy Vitamin D3C27H44O320.70.47
 5-β-androstan-3a-ol-17-one sulfateC19H30O5S20.50.38
 ProglumideC18H26N2O411.90.80
 Grayanotoxin 1C22H36O75.4−0.39
 Promazine sulfoxideC17H20N2OS4.80.98
 Estradiol diacetateC22H28O44.30.79
 6,3′-dimethoxyflavoneC17H14O43.90.47
 Ergoline-8-methanol,10-methoxy-6-methyl-(8b)C17H22N2O23.8−0.28
 N-(4-benzenesulfonamide) arachidonoyl amineC26H38N2O3S3.20.08
 Desmethyl trimipramine glucuronideC25H32N2O62.91.07
 12α hydroxyl-5-deoxyhdromunduseroneC19H18O62.6−0.25
 RanitidineC13H22N4O3S2.51.00
 N-(5-hydroxy-pentyl)arachidonoyl amineC25H43NO22.3−0.36
 NorethynodrelC20 H26 O22.21.24
 PraziquantelC19H24N2O22.20.95
 9,12-octadecadienalC18H32O2.1−1.27
 11-amino undecanoic acidC11H23NO21.70.61
 AmorolfineC21H35NO1.60.93
 MebhydrolinC19H20N21.31.29