18 Known Ingredients in Total


Unique ingredients have been isolated from this plant.
Plant-Ingredients Associations were manually curated from publications or collected from other databases.



12 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC85813
Formula: C18H32O2

Ingredient ID: NPC294548
Formula: C18H30O2

Ingredient ID: NPC286245
Formula: C26H34O10

Ingredient ID: NPC261831
Formula: C18H34O2

Ingredient ID: NPC256849
Formula: C8H10N4O2

Ingredient ID: NPC255837
Formula: C18H24O2

Ingredient ID: NPC250436
Formula: C22H18O11

Ingredient ID: NPC244690
Formula: C18H26O2

Ingredient ID: NPC219876
Formula: C15H14O6

Ingredient ID: NPC182682
Formula: C31H24O10

Ingredient ID: NPC176740
Formula: C27H30O16

Ingredient ID: NPC173637
Formula: C21H20O11

Ingredient ID: NPC173319
Formula: C30H50O

Ingredient ID: NPC167983
Formula: C19H30O8

Ingredient ID: NPC160512
Formula: C22H18O10

Ingredient ID: NPC126029
Formula: C15H14O6

Ingredient ID: NPC119133
Formula: C7H8N4O2

Ingredient ID: NPC102281
Formula: C18H28O2

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC102281 C18H28O2 octadeca-8,10-diynoic acid 276.2089301 -1.4401 3.22 7.02 2 1 37.3 11 0 20 2
NPC119133 C7H8N4O2 Theobromine 180.06 -0.6264 1.57 -0.432 6 1 70.72 3 2 13 0
NPC126029 C15H14O6 (-)-Epicatechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC160512 C22H18O10 Epicatechin Gallate 442.09 -3.5057 2.78 1.228 2 7 177.14 11 4 32 1
NPC167983 C19H30O8 (E)-4-[(1R,3S,6S)-1,5,5-trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxabicyclo[4.1.0]heptan-6-yl]but-3-en-2-one 386.1940679 -1.2026 2.67 0.079 8 4 128.98 5 3 27 0
NPC173319 C30H50O (3S,3aS,5aS,5bS,7aR,9S,11aS,13aR,13bS)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol 426.3861662 3.1532 4.65 11.448 1 1 20.23 1 5 31 1
NPC173637 C21H20O11 Quercitrin 448.1 -4.3921 2.56 0.349 6 7 186.37 11 4 32 1
NPC176740 C27H30O16 Rutin 610.15 -6.139 2.67 -1.188 11 10 265.52 17 5 43 2
NPC182682 C31H24O10 556.136947 -1.1834 3.77 5.428 6 2 137.82 4 7 41 1
NPC219876 C15H14O6 Cianidanol 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC244690 C18H26O2 (Z)-octadec-12-en-8,10-diynoic acid 274.1932801 -0.2031 3.22 6.906 2 1 37.3 10 0 20 1
NPC250436 C22H18O11 Epigalocatechin Gallate 458.08 -3.966 2.67 0.694 2 8 197.37 12 4 33 1
NPC255837 C18H24O2 272.17763 -0.2737 3.22 6.542 2 1 37.3 11 0 20 1
NPC256849 C8H10N4O2 Caffeine 194.08 -0.4311 1.68 -0.625 6 0 58.44 3 2 14 0
NPC261831 C18H34O2 Oleic Acid 282.26 -2.3427 3.22 8.192 2 1 37.3 17 0 20 2
NPC286245 C26H34O10 Aviculin 506.22 -3.461 3.22 0.656 6 6 158.3 16 4 36 1
NPC294548 C18H30O2 Linolenic Acid 278.22 -0.0979 3.22 7.538 2 1 37.3 15 0 20 2
NPC85813 C18H32O2 Linoleic Acid 280.24 -0.9485 3.22 7.865 2 1 37.3 16 0 20 2

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1. General Information & structure data (InChi, InChiKey, SMILES)  
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