26 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.



17 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC81010
Formula: C9H8O3

Ingredient ID: NPC61477
Formula: C15H14O6

Ingredient ID: NPC53069
Formula: C20H18NO4

Ingredient ID: NPC52097
Formula: C18H24O10

Ingredient ID: NPC32977
Formula: C9H8O3

Ingredient ID: NPC302857
Formula: C16H18O9

Ingredient ID: NPC294902
Formula: C9H8O4

Ingredient ID: NPC294423
Formula: C18H24O10

Ingredient ID: NPC278129
Formula: C25H21N3O9S2

Ingredient ID: NPC268319
Formula: C12H22O10

Ingredient ID: NPC261619
Formula: C15H14O6

Ingredient ID: NPC250587
Formula: C18H24O11

Ingredient ID: NPC243728
Formula: C35H60O6

Ingredient ID: NPC225710
Formula: C7H6O5

Ingredient ID: NPC219876
Formula: C15H14O6

Ingredient ID: NPC216509
Formula: C18H24O10

Ingredient ID: NPC20791
Formula: C15H10O7

Ingredient ID: NPC176740
Formula: C27H30O16

Ingredient ID: NPC169749
Formula: C15H10O8

Ingredient ID: NPC167976
Formula: C16H18O9

Ingredient ID: NPC156654
Formula: C7H6O4

Ingredient ID: NPC15658
Formula: C15H14O6

Ingredient ID: NPC126029
Formula: C15H14O6

Ingredient ID: NPC118083
Formula: C26H19N3O3

Ingredient ID: NPC116775
Formula: C15H10O6

Ingredient ID: NPC1075
Formula: C9H8O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC1075 C9H8O4 (Z)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid 180.04 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
NPC116775 C15H10O6 Kaempferol 286.05 -2.3409 2.45 1.915 2 4 107.22 5 3 21 0
NPC118083 C26H19N3O3 421.1426415 -2.0705 3.66 5.799 4 2 85.49 4 5 32 1
NPC126029 C15H14O6 (-)-Epicatechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC15658 C15H14O6 (-)-Catechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC156654 C7H6O4 Protocatechuic Acid 154.03 -1.1604 1.79 0.536 2 3 77.76 4 1 11 0
NPC167976 C16H18O9 (1S,3R,4R,5R)-3-[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid 354.0950822 -2.1962 2.23 -0.447 7 6 164.75 5 2 25 1
NPC169749 C15H10O8 Myricetin 318.04 -3.2615 2.23 0.847 2 6 147.68 7 3 23 1
NPC176740 C27H30O16 Rutin 610.15 -6.139 2.67 -1.188 11 10 265.52 17 5 43 2
NPC20791 C15H10O7 Quercetin 302.04 -2.8012 2.34 1.381 2 5 127.45 6 3 22 0
NPC216509 C18H24O10 [2-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate 400.136947 -2.885 2.34 -0.282 9 6 166.14 9 2 28 1
NPC219876 C15H14O6 Cianidanol 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC225710 C7H6O5 Gallic Acid 170.02 -1.6207 1.68 0.002 2 4 97.99 5 1 12 0
NPC243728 C35H60O6 Daucosterol 576.44 -0.4469 4.65 10.487 6 4 99.38 19 5 41 1
NPC250587 C18H24O11 [(2S)-2-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 416.1318616 -3.3453 2.23 -1.027 9 7 186.37 9 2 29 1
NPC261619 C15H14O6 (+)-Epicatechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC268319 C12H22O10 (3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol 326.1212969 -3.7603 1.68 -2.531 10 7 169.3 3 2 22 1
NPC278129 C25H21N3O9S2 [4-[6-benzyl-5-[[2-(4-sulfooxyphenyl)acetyl]amino]pyrazin-2-yl]phenyl] hydrogen sulfate 571.0719213 -0.7438 2.67 3.71 10 3 202.33 10 4 39 0
NPC294423 C18H24O10 [(2S)-2-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate 400.136947 -2.885 2.34 -0.282 9 6 166.14 9 2 28 1
NPC294902 C9H8O4 Caffeic Acid 180.04 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
NPC302857 C16H18O9 Chlorogenic Acid 354.1 -2.1962 2.23 -0.447 7 6 164.75 11 2 25 1
NPC32977 C9H8O3 164.0473441 -0.339 2.12 1.886 2 2 57.53 4 1 12 0
NPC52097 C18H24O10 400.136947 -2.885 2.34 -0.282 10 6 166.14 15 2 28 1
NPC53069 C20H18NO4 Berberine 336.12 -1.583 3.11 2.896 0 0 40.8 4 5 25 0
NPC61477 C15H14O6 Catechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC81010 C9H8O3 Coumaric Acid 164.05 -0.339 2.12 1.886 2 2 57.53 4 1 12 0

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