12 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.



6 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC50315
Formula: C16H16O4

Ingredient ID: NPC39064
Formula: C16H14O4

Ingredient ID: NPC260000
Formula: C10H12O2

Ingredient ID: NPC230479
Formula: C16H16O4

Ingredient ID: NPC209560
Formula: C16H12O4

Ingredient ID: NPC202431
Formula: C24H24O10

Ingredient ID: NPC156751
Formula: C10H14O2

Ingredient ID: NPC156654
Formula: C7H6O4

Ingredient ID: NPC15658
Formula: C15H14O6

Ingredient ID: NPC126029
Formula: C15H14O6

Ingredient ID: NPC125449
Formula: C15H10O5

Ingredient ID: NPC121522
Formula: C17H14O5

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC121522 C17H14O5 Castanin 298.08 -1.2306 2.78 2.55 1 1 64.99 6 3 22 0
NPC125449 C15H10O5 4',7,8-Trihydroxyisoflavone 270.05 -2.0476 2.56 1.941 1 3 86.99 4 3 20 0
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
NPC156751 C10H14O2 4-[(3S)-3-hydroxybutyl]phenol 166.0993797 -1.1453 2.34 2.2 1 2 40.46 3 1 12 0
NPC202431 C24H24O10 [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate 472.136947 -2.5466 3 2.197 7 3 140.98 7 4 34 0
NPC209560 C16H12O4 Formononetin 268.07 -1.1788 2.78 2.994 1 1 55.76 4 3 20 0
NPC230479 C16H16O4 272.104859 -1.0998 2.78 2.326 0 2 58.92 5 3 20 0
NPC260000 C10H12O2 164.0837296 -0.617 2.34 1.896 1 1 37.3 5 1 12 0
NPC39064 C16H14O4 270.0892089 -1.1652 2.78 2.314 0 1 47.92 3 4 20 0
NPC50315 C16H16O4 272.104859 -1.0998 2.78 2.326 0 2 58.92 5 3 20 0

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