11 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.



7 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC51700
Formula: C30H48O3

Ingredient ID: NPC469972
Formula: C8H11N3O3S

Ingredient ID: NPC294340
Formula: C17H22O6

Ingredient ID: NPC264317
Formula: C30H48O3

Ingredient ID: NPC248287
Formula: C39H54O5

Ingredient ID: NPC234987
Formula: C21H26N2O2

Ingredient ID: NPC234548
Formula: C39H54O5

Ingredient ID: NPC21025
Formula: C20H24N2O2

Ingredient ID: NPC205392
Formula: C40H56O6

Ingredient ID: NPC124179
Formula: C27H34N2O9

Ingredient ID: NPC105942
Formula: C40H56O6

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC105942 C40H56O6 3Beta-E-Feruloylbetulinic Acid 632.41 2.5677 5.2 11.458 4 2 93.06 16 6 46 1
NPC124179 C27H34N2O9 (2S,3R,4S)-3-ethenyl-4-[[(1S)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid 530.2264307 -2.1831 3.22 1.477 11 6 164.94 7 5 38 2
NPC205392 C40H56O6 3Beta-O-Cis-Feruloylbetulinic Acid 632.41 2.5677 5.2 11.458 4 2 93.06 16 6 46 1
NPC21025 C20H24N2O2 324.183778 0.1982 3.22 2.949 4 1 45.47 2 4 24 0
NPC234548 C39H54O5 3Beta-O-Cis-Coumaroylbetulinic Acid 602.4 2.6195 5.2 12.113 4 2 83.83 14 6 44 1
NPC234987 C21H26N2O2 338.1994281 0.6067 3.33 3.468 4 0 34.47 6 4 25 0
NPC248287 C39H54O5 3Beta-O-Trans-Coumaroyl-Betulinic Acid 602.4 2.6195 5.2 12.113 4 2 83.83 14 6 44 1
NPC264317 C30H48O3 Betulinic Acid 456.36 2.3495 4.43 9.407 3 2 57.53 10 5 33 1
NPC294340 C17H22O6 [(E)-2-methyl-4-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]but-2-enyl] acetate 322.1416384 0.2554 2.67 1.142 3 3 104.06 7 1 23 0
NPC469972 C8H11N3O3S Lamivudine 229.05 -0.5821 1.57 0.493 6 3 114.44 4 2 15 0
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)  
2. Physico-chemical Properties