14 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.



10 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC88278
Formula: C6H12O6

Ingredient ID: NPC76336
Formula: C10H8O4

Ingredient ID: NPC283510
Formula: C30H18O12

Ingredient ID: NPC247553
Formula: C9H6O3

Ingredient ID: NPC240722
Formula: C11H10O4

Ingredient ID: NPC225710
Formula: C7H6O5

Ingredient ID: NPC20791
Formula: C15H10O7

Ingredient ID: NPC179950
Formula: C21H20O12

Ingredient ID: NPC177318
Formula: C6H14O6

Ingredient ID: NPC176740
Formula: C27H30O16

Ingredient ID: NPC173637
Formula: C21H20O11

Ingredient ID: NPC153781
Formula: C30H48O2

Ingredient ID: NPC149223
Formula: C30H18O12

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
NPC149223 C30H18O12 570.079826 -4.5587 3.44 1.654 4 7 203.44 2 7 42 1
NPC153781 C30H48O2 3-[(1S,2S,4aR,4bR,6aR,10bS,12aR)-1,4a,4b,6a,9,9-hexamethyl-2-prop-1-en-2-yl-3,4,5,6,7,8,10b,11,12,12a-decahydro-2H-chrysen-1-yl]propanoic acid 440.3654308 3.9726 4.54 11.468 2 1 37.3 4 4 32 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
NPC177318 C6H14O6 (2S,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol 182.0790382 -2.9402 1.46 -3.896 6 6 121.38 5 0 12 1
NPC179950 C21H20O12 Isoquercetin 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
NPC20791 C15H10O7 Quercetin 302.04 -2.8012 2.34 1.381 2 5 127.45 6 3 22 0
NPC225710 C7H6O5 Gallic Acid 170.02 -1.6207 1.68 0.002 2 4 97.99 5 1 12 0
NPC240722 C11H10O4 Scoparone 206.06 0.1664 2.23 1.607 1 0 44.76 4 2 15 0
NPC247553 C9H6O3 Umbelliferone 162.03 -0.1903 2.12 1.532 1 1 46.53 1 2 12 0
NPC283510 C30H18O12 570.079826 -4.5587 3.44 2.083 4 7 203.44 2 7 42 1
NPC76336 C10H8O4 Scopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0
NPC88278 C6H12O6 Inositol 180.06 -3.0642 1.46 -1.458 6 6 121.38 6 1 12 1

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1. General Information & structure data (InChi, InChiKey, SMILES)  
2. Physico-chemical Properties