21 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.



14 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC88864
Formula: C15H14O6

Ingredient ID: NPC78263
Formula: C21H20O11

Ingredient ID: NPC306471
Formula: C21H21NO4

Ingredient ID: NPC297987
Formula: C27H30O16

Ingredient ID: NPC286342
Formula: C16H12O7

Ingredient ID: NPC281131
Formula: C21H20O12

Ingredient ID: NPC270275
Formula: C21H21NO5

Ingredient ID: NPC246679
Formula: C9H8O3

Ingredient ID: NPC23412
Formula: C21H21NO4

Ingredient ID: NPC216361
Formula: C15H10O7

Ingredient ID: NPC20791
Formula: C15H10O7

Ingredient ID: NPC203500
Formula: C21H20O11

Ingredient ID: NPC183299
Formula: C21H20O12

Ingredient ID: NPC179950
Formula: C21H20O12

Ingredient ID: NPC173637
Formula: C21H20O11

Ingredient ID: NPC166261
Formula: C22H23NO4

Ingredient ID: NPC146540
Formula: C15H18O8

Ingredient ID: NPC139891
Formula: C9H6O2

Ingredient ID: NPC133671
Formula: C21H20O11

Ingredient ID: NPC125062
Formula: C16H12O7

Ingredient ID: NPC116775
Formula: C15H10O6

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC116775 C15H10O6 Kaempferol 286.05 -2.3409 2.45 1.915 2 4 107.22 5 3 21 0
NPC125062 C16H12O7 Isorhamnetin 316.06 -2.3927 2.45 1.471 2 4 116.45 7 3 23 0
NPC133671 C21H20O11 Astragalin 448.1 -4.4318 2.56 0.18 7 7 186.37 11 4 32 1
NPC139891 C9H6O2 Coumarin 146.04 0.27 2.23 2.706 1 0 26.3 0 2 11 0
NPC146540 C15H18O8 326.1001675 -2.0859 2.23 0.778 7 5 136.68 10 2 23 0
NPC166261 C22H23NO4 (1S)-6,7-dimethoxy-2-methyl-6'-methylidenespiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole] 365.1627082 0.5246 3.33 2.532 1 0 40.16 2 5 27 0
NPC173637 C21H20O11 Quercitrin 448.1 -4.3921 2.56 0.349 6 7 186.37 11 4 32 1
NPC179950 C21H20O12 Isoquercetin 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
NPC183299 C21H20O12 464.0954761 -4.8921 2.45 -0.783 7 8 206.6 4 4 33 1
NPC203500 C21H20O11 Kaempferol 7-O-Beta-D-Glucopyranoside 448.1 -4.0878 2.56 0.807 7 7 186.37 11 4 32 1
NPC20791 C15H10O7 Quercetin 302.04 -2.8012 2.34 1.381 2 5 127.45 6 3 22 0
NPC216361 C15H10O7 Morin 302.04 -2.8012 2.34 0.952 2 5 127.45 6 3 22 0
NPC23412 C21H21NO4 (1S)-7-methoxy-2-methyl-6'-methylidenespiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6-ol 351.1470582 0.1161 3.22 2.013 1 1 51.16 1 5 26 0
NPC246679 C9H8O3 O-Coumaric Acid 164.05 -0.339 2.12 1.886 2 2 57.53 4 1 12 0
NPC270275 C21H21NO5 367.1419728 -0.7048 3.11 1.999 2 1 60.39 0 6 27 0
NPC281131 C21H20O12 Hyperoside 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
NPC286342 C16H12O7 3-O-Methylquercetin 316.06 -2.7367 2.45 1.273 2 4 116.45 7 3 23 0
NPC297987 C27H30O16 Kaempferol 3,7-Di-O-Beta-D-Glucopyranoside 610.15 -6.1787 2.67 -0.928 12 10 265.52 17 5 43 2
NPC306471 C21H21NO4 (1S)-7-methoxy-2-methyl-7'-methylidenespiro[3,4-dihydroisoquinoline-1,6'-5H-cyclopenta[f][1,3]benzodioxole]-6-ol 351.1470582 0.1161 3.22 2.013 1 1 51.16 1 5 26 0
NPC78263 C21H20O11 448.1005615 -4.4318 2.56 0.18 11 7 186.37 11 4 32 1
NPC88864 C15H14O6 Javanicin 290.08 -1.1628 2.45 -0.542 4 2 100.9 8 2 21 0

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