6 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: NPC311612
Formula: C30H44O7

Ingredient ID: NPC183950
Formula: C16H12O6

Ingredient ID: NPC163866
Formula: C29H48O

Ingredient ID: NPC156461
Formula: C10H13N5O4

Ingredient ID: NPC111888
Formula: C8H8O4

Ingredient ID: NPC107482
Formula: C6H6O3

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC107482 C6H6O3 5-Hydroxymethyl-Furfural 126.03 -0.7952 1.79 0.422 2 1 50.44 3 1 9 0
NPC111888 C8H8O4 Vanillic Acid 168.04 -0.7519 1.9 0.626 2 2 66.76 5 1 12 0
NPC156461 C10H13N5O4 Adenosine 267.1 -2.2791 1.57 -1.809 9 4 139.54 6 3 19 0
NPC163866 C29H48O (3S,5S,9R,10S,13R,14R)-17-[(Z,2R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 412.3705162 1.2566 4.54 11.261 1 1 20.23 5 4 30 1
NPC183950 C16H12O6 Chrysoeriol 300.06 -1.9363 2.56 1.123 1 3 96.22 6 3 22 0
NPC311612 C30H44O7 Cucurbitacin D 516.31 0.3918 3.99 1.985 7 4 132.13 16 4 37 0

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