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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 Molecules

Molecular formula

Rel. Abundance (%)

Drug Likeness Score

CRACE F10

 1α, 25 - dihydroxy Vitamin D3

C27H44O3

34.4

0.47

 Indole acrylic acid

C11H9NO2

12.3

−1.75

 Promazine sulfoxide

C17H20N2OS

9.3

0.98

 Dehydroprotenone

C23H20O6

7.0

−0.35

 Grayanotoxin1

C22H36O7

6.4

−0.39

 Ranitidine

C13H22N4O3S

6.0

1.00

 N-(4-benzenesulfonamide) arachidonoyl amine

C26H38N2O3S

4.9

0.08

 9,12-octadecadienal

C18H32O

3.1

−1.27

 7-aminonitrazepam

C15H13N3O

3.0

0.30

 Griseofulvic acid

C16H15ClO6

2.9

−0.06

 N-(1R-methyl-2-hydroxy-ethyl)α, α, dimethyl arachidonoyl amine

C25H43NO2

2.8

−0.48

 Glucosamine

C6H13NO5

2.4

0.14

 Mundoserone

C19H18O6

2.4

−0.25

 18-bromo-17E-octadecenoic acid

C18H21BrO2

2.1

0.06

 Methotimeprazine

C19H24N2OS

0.3

1.15

CRACE F29

 1α, 25- dihydroxy Vitamin D3

C27H44O3

20.7

0.47

 5-β-androstan-3a-ol-17-one sulfate

C19H30O5S

20.5

0.38

 Proglumide

C18H26N2O4

11.9

0.80

 Grayanotoxin 1

C22H36O7

5.4

−0.39

 Promazine sulfoxide

C17H20N2OS

4.8

0.98

 Estradiol diacetate

C22H28O4

4.3

0.79

 6,3′-dimethoxyflavone

C17H14O4

3.9

0.47

 Ergoline-8-methanol,10-methoxy-6-methyl-(8b)

C17H22N2O2

3.8

−0.28

 N-(4-benzenesulfonamide) arachidonoyl amine

C26H38N2O3S

3.2

0.08

 Desmethyl trimipramine glucuronide

C25H32N2O6

2.9

1.07

 12α hydroxyl-5-deoxyhdromunduserone

C19H18O6

2.6

−0.25

 Ranitidine

C13H22N4O3S

2.5

1.00

 N-(5-hydroxy-pentyl)arachidonoyl amine

C25H43NO2

2.3

−0.36

 Norethynodrel

C20 H26 O2

2.2

1.24

 Praziquantel

C19H24N2O2

2.2

0.95

 9,12-octadecadienal

C18H32O

2.1

−1.27

 11-amino undecanoic acid

C11H23NO2

1.7

0.61

 Amorolfine

C21H35NO

1.6

0.93

 Mebhydrolin

C19H20N2

1.3

1.29