28 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.



7 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC88789
Formula: C21H20O12

Ingredient ID: NPC88278
Formula: C6H12O6

Ingredient ID: NPC81218
Formula: C20H23NO4.HI

Ingredient ID: NPC53722
Formula: C23H28O7

Ingredient ID: NPC5319
Formula: C33H40O15

Ingredient ID: NPC320283
Formula: C21H20O10

Ingredient ID: NPC300017
Formula: C8H10O2

Ingredient ID: NPC281131
Formula: C21H20O12

Ingredient ID: NPC278419
Formula: C27H30O10

Ingredient ID: NPC26229
Formula: C31H64

Ingredient ID: NPC219913
Formula: C7H6O2

Ingredient ID: NPC209970
Formula: C18H36O2

Ingredient ID: NPC179950
Formula: C21H20O12

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC179950 C21H20O12 Isoquercetin 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
NPC209970 C18H36O2 Stearic Acid 284.27 -4.4737 3.22 8.708 2 1 37.3 18 0 20 2
NPC219913 C7H6O2 4-Hydroxybenzaldehyde 122.04 -0.6527 2.01 1.484 1 1 37.3 2 1 9 0
NPC26229 C31H64 436.500802 -8.2494 4.87 17.979 0 0 0 30 0 31 2
NPC278419 C27H30O10 514.1838972 -1.6459 3.33 2.872 10 5 155.14 15 4 37 0
NPC281131 C21H20O12 Hyperoside 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
NPC300017 C8H10O2 Tyrosol 138.07 -0.6534 2.12 1.171 1 2 40.46 4 1 10 0
NPC320283 C21H20O10 432.11 -3.9318 2.67 0.883 6 6 166.14 10 4 31 1
NPC5319 C33H40O15 Icariin 676.24 -3.3928 3.44 1.764 11 8 234.29 21 5 48 2
NPC53722 C23H28O7 416.1835032 -0.0398 3.22 2.307 1 1 75.61 11 4 30 0
NPC81218 C20H23NO4.HI 341.1627082 -2.3181 3.11 1.008 0 1 61.75 8 4 25 0
NPC88278 C6H12O6 Inositol 180.06 -3.0642 1.46 -1.458 6 6 121.38 6 1 12 1
NPC88789 C21H20O12 464.0954761 -4.8921 2.45 -0.354 12 8 206.6 12 4 33 1

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