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: NPC290598
Formula: C30H50O

Ingredient ID: NPC283790
Formula: C16H20O9

Ingredient ID: NPC264417
Formula: C42H83NO5

Ingredient ID: NPC264317
Formula: C30H48O3

Ingredient ID: NPC225324
Formula: C40H75NO9

Ingredient ID: NPC195334
Formula: C32H52O2

Ingredient ID: NPC192638
Formula: C30H50O

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC192638 C30H50O Lupeol 426.39 3.2313 4.65 11.901 1 1 20.23 9 5 31 1
NPC195334 C32H52O2 Beta-Amyrin Acetate 468.4 3.3907 4.76 12.286 2 0 26.3 11 5 34 1
NPC225324 C40H75NO9 713.544183 -6.9792 4.76 11.563 10 7 172.43 32 1 50 3
NPC264317 C30H48O3 Betulinic Acid 456.36 2.3495 4.43 9.407 3 2 57.53 10 5 33 1
NPC264417 C42H83NO5 681.6271248 -9.89 5.42 16.498 6 5 113.51 45 0 48 2
NPC283790 C16H20O9 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydrochromen-2-one 356.1107322 -2.2529 2.23 -0.275 6 4 134.91 4 3 25 0
NPC290598 C30H50O Beta-Amyrin 426.39 3.0116 4.65 11.546 1 1 20.23 9 5 31 1
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