18 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: NPC91037
Formula: C16H18O9

Ingredient ID: NPC78675
Formula: C15H16O9

Ingredient ID: NPC74539
Formula: C12H8O4

Ingredient ID: NPC73738
Formula: C9H6O4

Ingredient ID: NPC61464
Formula: C15H16O9

Ingredient ID: NPC4401
Formula: C20H20O8

Ingredient ID: NPC33320
Formula: C12H8O4

Ingredient ID: NPC259150
Formula: C15H16O9

Ingredient ID: NPC248016
Formula: C24H24O10

Ingredient ID: NPC247553
Formula: C9H6O3

Ingredient ID: NPC246956
Formula: C30H49NO2

Ingredient ID: NPC224787
Formula: C18H10O6

Ingredient ID: NPC201299
Formula: C36H59NO7

Ingredient ID: NPC139891
Formula: C9H6O2

Ingredient ID: NPC126245
Formula: C12H10O4

Ingredient ID: NPC111511
Formula: C15H16O8

Ingredient ID: NPC10888
Formula: C15H16O9

Ingredient ID: NPC107091
Formula: C7H14O6

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC107091 C7H14O6 194.08 -2.6557 1.57 -1.797 6 5 110.38 7 1 13 0
NPC10888 C15H16O9 340.0794321 -2.3975 2.12 -0.539 6 5 145.91 3 3 24 0
NPC111511 C15H16O8 324.0845175 -1.4783 2.23 0.223 5 3 114.68 4 3 23 0
NPC126245 C12H10O4 218.0579088 0.8308 2.34 2.384 2 0 52.6 2 2 16 0
NPC139891 C9H6O2 Coumarin 146.04 0.27 2.23 2.706 1 0 26.3 0 2 11 0
NPC201299 C36H59NO7 617.4291532 0.7608 4.54 8.705 8 6 143.46 5 6 44 2
NPC224787 C18H10O6 322.047738 -0.0744 2.78 3.119 2 1 82.06 2 4 24 0
NPC246956 C30H49NO2 3-Hydroxylup-20(29)-En-28-Amide 455.38 2.5077 4.43 9.813 3 3 64.31 10 5 33 1
NPC247553 C9H6O3 Umbelliferone 162.03 -0.1903 2.12 1.532 1 1 46.53 1 2 12 0
NPC248016 C24H24O10 472.136947 -2.3438 3 2.421 6 3 140.98 6 4 34 0
NPC259150 C15H16O9 7-hydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one 340.0794321 -2.3975 2.12 -0.539 6 5 145.91 3 3 24 0
NPC33320 C12H8O4 Methoxsalen 216.04 0.0641 2.34 1.69 1 0 48.67 2 3 16 0
NPC4401 C20H20O8 388.1158176 -1.764 2.78 0.244 4 4 125.68 6 3 28 0
NPC61464 C15H16O9 340.0794321 -2.3975 2.12 -0.539 6 5 145.91 3 3 24 0
NPC73738 C9H6O4 Daphnetin 178.03 -0.6506 2.01 0.998 1 2 66.76 2 2 13 0
NPC74539 C12H8O4 Bergapten 216.04 0.0641 2.34 1.69 1 0 48.67 2 3 16 0
NPC78675 C15H16O9 340.0794321 -2.3975 2.12 -0.539 6 5 145.91 3 3 24 0
NPC91037 C16H18O9 354.0950822 -1.989 2.23 -0.02 6 4 134.91 4 3 25 0

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