7 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: NPC476450
Formula: C15H16O7

Ingredient ID: NPC247553
Formula: C9H6O3

Ingredient ID: NPC240915
Formula: C11H8O5

Ingredient ID: NPC20796
Formula: C15H14O5

Ingredient ID: NPC206264
Formula: C15H16O9

Ingredient ID: NPC139891
Formula: C9H6O2

Ingredient ID: NPC137949
Formula: C9H6O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC137949 C9H6O4 Esculetin 178.03 -0.6506 2.01 0.998 1 2 66.76 2 2 13 0
NPC139891 C9H6O2 Coumarin 146.04 0.27 2.23 2.706 1 0 26.3 0 2 11 0
NPC206264 C15H16O9 Esculin 340.08 -2.3975 2.12 -0.539 6 5 145.91 8 3 24 0
NPC20796 C15H14O5 5-(3',3'-Dimethylallyloxy)-6,7-Methylendioxycoumarin 274.08 1.381 2.56 2.291 1 0 53.99 5 3 20 0
NPC240915 C11H8O5 5-Methoxy-6,7-Methylenedioxycoumarin 220.04 -0.0845 2.12 1.09 1 0 53.99 2 3 16 0
NPC247553 C9H6O3 Umbelliferone 162.03 -0.1903 2.12 1.532 1 1 46.53 1 2 12 0
NPC476450 C15H16O7 308.09 -0.5521 2.34 0.586 3 2 94.45 8 3 22 0

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