12 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: NPC87394
Formula: C19H34O2

Ingredient ID: NPC59650
Formula: C5H11NO2

Ingredient ID: NPC45959
Formula: C43H74O14

Ingredient ID: NPC43300
Formula: C30H48O

Ingredient ID: NPC304011
Formula: C49H84O19

Ingredient ID: NPC290598
Formula: C30H50O

Ingredient ID: NPC256849
Formula: C8H10N4O2

Ingredient ID: NPC252253
Formula: C42H72O14

Ingredient ID: NPC195334
Formula: C32H52O2

Ingredient ID: NPC185538
Formula: C28H58O

Ingredient ID: NPC176740
Formula: C27H30O16

Ingredient ID: NPC139271
Formula: C48H82O19

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC139271 C48H82O19 962.5450304 -4.416 4.65 3.723 19 12 307.37 31 8 67 3
NPC176740 C27H30O16 Rutin 610.15 -6.139 2.67 -1.188 11 10 265.52 17 5 43 2
NPC185538 C28H58O 410.4487665 -7.8854 4.43 14.507 1 1 20.23 28 0 29 2
NPC195334 C32H52O2 Beta-Amyrin Acetate 468.4 3.3907 4.76 12.286 2 0 26.3 11 5 34 1
NPC252253 C42H72O14 800.492207 -2.6691 4.54 4.831 14 9 228.22 25 7 56 2
NPC256849 C8H10N4O2 Caffeine 194.08 -0.4311 1.68 -0.625 6 0 58.44 3 2 14 0
NPC290598 C30H50O Beta-Amyrin 426.39 3.0116 4.65 11.546 1 1 20.23 9 5 31 1
NPC304011 C49H84O19 976.5606805 -4.1165 4.76 3.918 19 12 307.37 32 8 68 3
NPC43300 C30H48O Lupenone 424.37 3.801 4.65 11.294 1 0 17.07 8 5 31 1
NPC45959 C43H74O14 814.507857 -2.3696 4.65 5.026 14 9 228.22 26 7 57 3
NPC59650 C5H11NO2 Glycinebetaine 117.08 -2.2564 1.68 -1.227 2 0 40.13 6 0 8 0
NPC87394 C19H34O2 8-(2-Octylcyclopropen-1-Yl)Octanoic Acid 294.26 -2.6641 3.33 7.386 2 1 37.3 17 1 21 2

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