8 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: NPC76336
Formula: C10H8O4

Ingredient ID: NPC70744
Formula: C10H10O4

Ingredient ID: NPC37250
Formula: C16H18O9

Ingredient ID: NPC29883
Formula: C7H6O3

Ingredient ID: NPC247553
Formula: C9H6O3

Ingredient ID: NPC206264
Formula: C15H16O9

Ingredient ID: NPC1786
Formula: C9H8O4

Ingredient ID: NPC111888
Formula: C8H8O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC111888 C8H8O4 Vanillic Acid 168.04 -0.7519 1.9 0.626 2 2 66.76 5 1 12 0
NPC1786 C9H8O4 180.0422587 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
NPC206264 C15H16O9 Esculin 340.08 -2.3975 2.12 -0.539 6 5 145.91 8 3 24 0
NPC247553 C9H6O3 Umbelliferone 162.03 -0.1903 2.12 1.532 1 1 46.53 1 2 12 0
NPC29883 C7H6O3 Paraben 138.03 -0.7001 1.9 1.07 2 2 57.53 3 1 10 0
NPC37250 C16H18O9 354.0950822 -2.1962 2.23 -0.447 7 6 164.75 11 2 25 1
NPC70744 C10H10O4 Ferulic Acid 194.06 -0.3908 2.12 1.231 2 2 66.76 6 1 14 0
NPC76336 C10H8O4 Scopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0

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