15 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: NPC84577
Formula: C32H56O5

Ingredient ID: NPC84319
Formula: C30H48O4

Ingredient ID: NPC8102
Formula: C39H54O6

Ingredient ID: NPC66894
Formula: C39H54O6

Ingredient ID: NPC60147
Formula: C32H54O4

Ingredient ID: NPC292107
Formula: C19H18O7

Ingredient ID: NPC255106
Formula: C16H14O5

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC192744
Formula: C30H46O3

Ingredient ID: NPC18525
Formula: C30H54O4

Ingredient ID: NPC143120
Formula: C40H42O13

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC143120 C40H42O13 Threo-Carolignan E 730.26 -1.9657 4.43 5.23 5 4 179.67 28 4 53 2
NPC18525 C30H54O4 478.4022102 1.1929 4.32 7.91 4 4 80.92 5 4 34 1
NPC192744 C30H46O3 Betunolic Acid 454.34 2.9192 4.43 8.8 3 1 54.37 9 5 33 1
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC255106 C16H14O5 Dihydrooroxylin A 286.08 -1.4059 2.67 2.049 1 2 75.99 5 3 21 0
NPC292107 C19H18O7 358.1052529 -1.5112 2.78 3.034 2 1 83.45 10 3 26 0
NPC60147 C32H54O4 [(3R,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate 502.4022102 1.9701 4.54 9.668 4 1 55.76 4 5 36 1
NPC66894 C39H54O6 Betulinic Acid 3Beta-Caffeate 618.39 2.1592 5.09 11.368 4 3 104.06 15 6 45 1
NPC8102 C39H54O6 Betulinic Acid 3Beta-Cis-Caffeate 618.39 2.1592 5.09 11.368 4 3 104.06 15 6 45 1
NPC84319 C30H48O4 Maslinic Acid 472.36 1.9071 4.32 8.24 4 3 77.76 11 5 34 1
NPC84577 C32H56O5 520.4127749 1.572 4.43 8.65 5 3 86.99 7 4 37 1

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1. General Information & structure data (InChi, InChiKey, SMILES)  
2. Physico-chemical Properties