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.



11 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC96759
Formula: C31H52O3

Ingredient ID: NPC76336
Formula: C10H8O4

Ingredient ID: NPC72444
Formula: C30H48O2

Ingredient ID: NPC60413
Formula: C31H40O9

Ingredient ID: NPC43300
Formula: C30H48O

Ingredient ID: NPC34700
Formula: C30H50O

Ingredient ID: NPC326310
Formula: C15H26O2

Ingredient ID: NPC310340
Formula: C16H14O5

Ingredient ID: NPC267027
Formula: C15H26O2

Ingredient ID: NPC220210
Formula: C30H48O

Ingredient ID: NPC201459
Formula: C30H48O2

Ingredient ID: NPC163362
Formula: C38H60O13

Ingredient ID: NPC13789
Formula: C15H24O

Ingredient ID: NPC127295
Formula: C40H62O14

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC127295 C40H62O14 Cupacinoside 766.41 3.3267 4.32 5.899 14 2 182.58 35 2 54 3
NPC13789 C15H24O (-)-Caryophyllene Oxide 220.18 1.9144 3 4.607 1 0 12.53 3 3 16 0
NPC163362 C38H60O13 [(2S,3S,4R,5R,6S)-4,5-Diacetyloxy-6-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-2-[(2E,6E,10E)-3,7,11,15-Tetramethylhexadeca-2,6,10,14-Tetraenoxy]Oxan-3-Yl]Oxy-2-Methyloxan-3-Yl] Acetate 724.4 2.9476 4.21 5.588 13 3 176.51 33 2 51 3
NPC201459 C30H48O2 Betulone 440.37 2.7103 4.54 9.107 2 1 37.3 9 5 32 1
NPC220210 C30H48O Taraxerone 424.37 4.0333 4.65 10.745 1 0 17.07 8 5 31 1
NPC267027 C15H26O2 238.19 1.8017 2.89 3.885 2 2 40.46 10 1 17 0
NPC310340 C16H14O5 286.0841235 -0.3398 2.67 1.975 1 1 64.99 6 3 21 0
NPC326310 C15H26O2 1,2-Dihydroxybisabola-3,10-Diene 238.19 1.8499 2.89 3.419 2 2 40.46 10 1 17 0
NPC34700 C30H50O Taraxerol 426.39 3.4636 4.65 11.352 1 1 20.23 9 5 31 1
NPC43300 C30H48O Lupenone 424.37 3.801 4.65 11.294 1 0 17.07 8 5 31 1
NPC60413 C31H40O9 Gustastatin 556.27 -2.6576 3.88 6.284 5 1 125.43 25 2 40 2
NPC72444 C30H48O2 440.37 2.7579 4.54 8.776 2 0 29.6 9 6 32 1
NPC76336 C10H8O4 Scopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0
NPC96759 C31H52O3 Cupacinoxepin 472.39 3.5604 4.54 9.933 3 0 35.53 9 5 34 1

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