13 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.



8 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC51700
Formula: C30H48O3

Ingredient ID: NPC37649
Formula: C30H50O2

Ingredient ID: NPC307063
Formula: C30H50O

Ingredient ID: NPC292589
Formula: C28H36O2

Ingredient ID: NPC290598
Formula: C30H50O

Ingredient ID: NPC287063
Formula: C28H36O3

Ingredient ID: NPC281203
Formula: C30H48O3

Ingredient ID: NPC251728
Formula: C30H40O4

Ingredient ID: NPC248830
Formula: C30H50O2

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC174167
Formula: C30H40O4

Ingredient ID: NPC167158
Formula: C28H36O2

Ingredient ID: NPC103647
Formula: C30H50O2

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC103647 C30H50O2 442.3810808 2.1268 4.54 10.426 2 1 37.3 9 5 32 1
NPC167158 C28H36O2 404.2715304 3.5613 4.32 8.906 2 1 37.3 0 5 30 1
NPC174167 C30H40O4 Pristimerin 464.29 2.7341 4.32 8.301 4 1 63.6 10 5 34 1
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC248830 C30H50O2 442.3810808 2.1406 4.54 10.02 2 2 40.46 10 5 32 1
NPC251728 C30H40O4 464.2926598 2.7341 4.32 8.301 4 1 63.6 2 5 34 1
NPC281203 C30H48O3 (2S,4As,6Ar,6Bs,8As,9R,12As,12Bs,14As,14Br)-2,4A,6A,8A,9,12B,14A-Heptamethyl-10-Oxodocosahydropicene-2-Carboxylic Acid 456.36 2.3357 4.43 10.119 3 1 54.37 9 5 33 1
NPC287063 C28H36O3 Tingenone 420.27 2.1329 4.21 7.159 3 1 54.37 7 5 31 1
NPC290598 C30H50O Beta-Amyrin 426.39 3.0116 4.65 11.546 1 1 20.23 9 5 31 1
NPC292589 C28H36O2 Iguesterin 404.27 3.5613 4.32 8.906 2 1 37.3 7 5 30 1
NPC307063 C30H50O Friedeline 426.39 3.2175 4.65 12.613 1 0 17.07 8 5 31 1
NPC37649 C30H50O2 (4R,4aS,6aS,6aS,6bR,8aS,11S,12aR,14aS,14bS)-11-(hydroxymethyl)-4,4a,6a,6b,8a,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one 442.3810808 2.1268 4.54 10.426 2 1 37.3 1 5 32 1
NPC51700 C30H48O3 Ursolic Acid 456.36 1.4838 4.43 8.954 3 2 57.53 10 5 33 1

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1. General Information & structure data (InChi, InChiKey, SMILES)  
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