18 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: NPC99051
Formula: C19H19NO6

Ingredient ID: NPC62705
Formula: C16H12O6

Ingredient ID: NPC5046
Formula: C30H50O

Ingredient ID: NPC42051
Formula: C17H15NO5

Ingredient ID: NPC312929
Formula: C16H12O5

Ingredient ID: NPC307063
Formula: C30H50O

Ingredient ID: NPC292419
Formula: C30H52O

Ingredient ID: NPC283747
Formula: C29H48O2

Ingredient ID: NPC282370
Formula: C12H10N4O2

Ingredient ID: NPC270573
Formula: C31H50O3

Ingredient ID: NPC248830
Formula: C30H50O2

Ingredient ID: NPC192638
Formula: C30H50O

Ingredient ID: NPC189917
Formula: C30H48O

Ingredient ID: NPC182691
Formula: C18H17NO5

Ingredient ID: NPC178383
Formula: C30H50O2

Ingredient ID: NPC173594
Formula: C28H44O4

Ingredient ID: NPC146937
Formula: C31H50O3

Ingredient ID: NPC117969
Formula: C32H52O2

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC117969 C32H52O2 468.3967309 2.3279 4.76 12.71 2 0 26.3 7 5 34 1
NPC146937 C31H50O3 470.38 1.7512 4.54 11.355 3 2 57.53 14 5 34 1
NPC173594 C28H44O4 444.3239599 0.9757 4.1 9.603 4 1 63.6 6 5 32 1
NPC178383 C30H50O2 Betulin 442.38 2.1406 4.54 9.714 2 2 40.46 10 5 32 1
NPC182691 C18H17NO5 5-[(1R)-5,7-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-2-[(E)-prop-1-enyl]-1H-pyridin-4-one 327.1106726 -0.3565 2.78 2.176 4 1 73.86 4 3 24 0
NPC189917 C30H48O Cycloeucalenone 424.37 2.6799 4.65 11.557 1 0 17.07 11 5 31 1
NPC192638 C30H50O Lupeol 426.39 3.2313 4.65 11.901 1 1 20.23 9 5 31 1
NPC248830 C30H50O2 442.3810808 2.1406 4.54 10.02 2 2 40.46 10 5 32 1
NPC270573 C31H50O3 470.3759955 1.686 4.54 10.414 3 0 43.37 7 5 34 1
NPC282370 C12H10N4O2 7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione 242.0803756 0.3634 2.12 1.496 4 2 92.02 0 3 18 0
NPC283747 C29H48O2 428.3654308 1.3069 4.43 9.674 2 1 37.3 5 5 31 1
NPC292419 C30H52O 428.4018163 2.4864 4.65 13.026 1 1 20.23 9 5 31 1
NPC307063 C30H50O Friedeline 426.39 3.2175 4.65 12.613 1 0 17.07 8 5 31 1
NPC312929 C16H12O5 Physcion 284.07 -0.858 2.67 1.183 2 2 83.83 5 3 21 0
NPC42051 C17H15NO5 5-[(1R)-5-hydroxy-7-methoxy-3-oxo-1H-2-benzofuran-1-yl]-2-[(E)-prop-1-enyl]-1H-pyridin-4-one 313.0950226 -0.765 2.67 1.657 4 2 84.86 3 3 23 0
NPC5046 C30H50O 426.39 1.9488 4.65 11.97 1 1 20.23 12 5 31 1
NPC62705 C16H12O6 300.0633881 -1.5518 2.56 0.416 2 2 93.06 2 3 22 0
NPC99051 C19H19NO6 methyl 3,5-dimethoxy-2-[4-oxo-6-[(E)-prop-1-enyl]-1H-pyridine-3-carbonyl]benzoate 357.1212373 -0.4676 2.78 2.492 5 1 90.93 7 2 26 0

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