14 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: NPC91920
Formula: C46H78O4

Ingredient ID: NPC51700
Formula: C30H48O3

Ingredient ID: NPC305835
Formula: C32H52O2

Ingredient ID: NPC301715
Formula: C29H48O2

Ingredient ID: NPC236454
Formula: C21H20O12

Ingredient ID: NPC233345
Formula: C15H20O3

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC228346
Formula: C20H22O6

Ingredient ID: NPC209970
Formula: C18H36O2

Ingredient ID: NPC164127
Formula: C40H40O12

Ingredient ID: NPC145879
Formula: C29H48O2

Ingredient ID: NPC142415
Formula: C30H48O3

Ingredient ID: NPC131192
Formula: C8H8O3

Ingredient ID: NPC130073
Formula: C8H8N2

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC130073 C8H8N2 1H-indol-3-amine 132.0687483 -1.1703 2.12 1.42 2 2 41.81 0 2 10 0
NPC131192 C8H8O3 Methylparaben 152.05 -0.4491 2.01 1.391 2 1 46.53 4 1 11 0
NPC142415 C30H48O3 Oleanolic_Acid 456.36 2.1298 4.43 9.052 3 2 57.53 10 5 33 1
NPC145879 C29H48O2 7-Oxositosterol 428.37 1.0285 4.43 9.499 2 1 37.3 13 4 31 1
NPC164127 C40H40O12 712.2519767 -1.7611 4.54 5.613 4 3 159.44 17 5 52 2
NPC209970 C18H36O2 Stearic Acid 284.27 -4.4737 3.22 8.708 2 1 37.3 18 0 20 2
NPC228346 C20H22O6 4,4'-((1S,3Ar,4S,6Ar)-Hexahydrofuro[3,4-C]Furan-1,4-Diyl)Bis(2-Methoxyphenol) 358.14 -2.0222 3 1.684 2 2 77.38 8 4 26 0
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC233345 C15H20O3 248.1412445 1.1827 2.78 1.34 3 1 46.53 3 3 18 0
NPC236454 C21H20O12 464.0954761 -4.3126 2.45 -0.127 7 7 195.6 4 4 33 1
NPC301715 C29H48O2 (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one 428.3654308 0.9462 4.43 10.31 2 1 37.3 6 4 31 1
NPC305835 C32H52O2 Lupenyl Acetate 468.4 3.6104 4.76 12.641 2 0 26.3 11 5 34 1
NPC51700 C30H48O3 Ursolic Acid 456.36 1.4838 4.43 8.954 3 2 57.53 10 5 33 1
NPC91920 C46H78O4 [(1S,3S,4aS,6aR,6bS,8aR,11R,12S,12aR,14aS,14bS)-1-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicen-3-yl] hexadecanoate 694.590011 -1.9429 6.08 16.29 4 1 63.6 16 5 50 2

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