10 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.



5 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC85813
Formula: C18H32O2

Ingredient ID: NPC255863
Formula: C18H32O3

Ingredient ID: NPC214610
Formula: C9H16O4

Ingredient ID: NPC174447
Formula: C18H30O3

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
NPC174447 C18H30O3 (9Z,11E)-13-Oxooctadeca-9,11-Dienoic Acid 294.22 -1.6022 3.11 5.656 3 1 54.37 16 0 21 2
NPC214610 C9H16O4 Azelaic Acid 188.1 -1.85 2.01 1.713 4 2 74.6 10 0 13 0
NPC255863 C18H32O3 9-Hydroxy-10,12-Octadecadienoic Acid 296.24 -2.0652 3.11 5.929 3 2 57.53 17 0 21 2
NPC85813 C18H32O2 Linoleic Acid 280.24 -0.9485 3.22 7.865 2 1 37.3 16 0 20 2

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