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.



5 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC76336
Formula: C10H8O4

Ingredient ID: NPC34770
Formula: C14H13NO4

Ingredient ID: NPC29883
Formula: C7H6O3

Ingredient ID: NPC27425
Formula: C30H48O2

Ingredient ID: NPC235310
Formula: C30H48O2

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC141080
Formula: C15H16O8

Ingredient ID: NPC113733
Formula: C29H48O

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC113733 C29H48O Stigmasterol 412.37 1.2566 4.54 11.071 1 1 20.23 12 4 30 1
NPC141080 C15H16O8 7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one 324.0845175 -1.9372 2.23 0.424 6 4 125.68 3 3 23 0
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC235310 C30H48O2 440.3654308 2.3281 4.54 10.377 2 1 37.3 1 5 32 1
NPC27425 C30H48O2 (1S,2R,4aR,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-1,2,4a,6a,6b,9,9,12a-octamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicen-13-one 440.3654308 1.9189 4.54 9.141 2 1 37.3 0 5 32 1
NPC29883 C7H6O3 Paraben 138.03 -0.7001 1.9 1.07 2 2 57.53 3 1 10 0
NPC34770 C14H13NO4 Skimmianine 259.08 -0.3095 2.45 1.624 1 0 53.72 6 3 19 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