13 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: NPC96286
Formula: C15H16O3

Ingredient ID: NPC74539
Formula: C12H8O4

Ingredient ID: NPC6440
Formula: C15H22O3

Ingredient ID: NPC290598
Formula: C30H50O

Ingredient ID: NPC27765
Formula: C30H50O

Ingredient ID: NPC243509
Formula: C16H14O4

Ingredient ID: NPC234536
Formula: C13H10O5

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC195334
Formula: C32H52O2

Ingredient ID: NPC192638
Formula: C30H50O

Ingredient ID: NPC162742
Formula: C28H48O

Ingredient ID: NPC142754
Formula: C30H48O

Ingredient ID: NPC113733
Formula: C29H48O

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC113733 C29H48O Stigmasterol 412.37 1.2566 4.54 11.071 1 1 20.23 12 4 30 1
NPC142754 C30H48O Beta-Amyrone 424.37 3.5813 4.65 10.939 1 0 17.07 8 5 31 1
NPC162742 C28H48O 400.3705162 1.9762 4.43 11.026 1 1 20.23 12 4 29 1
NPC192638 C30H50O Lupeol 426.39 3.2313 4.65 11.901 1 1 20.23 9 5 31 1
NPC195334 C32H52O2 Beta-Amyrin Acetate 468.4 3.3907 4.76 12.286 2 0 26.3 11 5 34 1
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC234536 C13H10O5 Isopimpinellin 246.05 0.0123 2.34 1.246 1 0 57.9 4 3 18 0
NPC243509 C16H14O4 Pentosalen 270.09 1.5296 2.78 2.891 1 0 48.67 5 3 20 0
NPC27765 C30H50O Alpha-Amyrin 426.39 2.3656 4.65 11.448 1 1 20.23 9 5 31 1
NPC290598 C30H50O Beta-Amyrin 426.39 3.0116 4.65 11.546 1 1 20.23 9 5 31 1
NPC6440 C15H22O3 (2Z,4E)-5-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3-methylpenta-2,4-dienal 250.1568946 1.52 2.78 1.67 3 1 49.83 3 2 18 0
NPC74539 C12H8O4 Bergapten 216.04 0.0641 2.34 1.69 1 0 48.67 2 3 16 0
NPC96286 C15H16O3 Osthole 244.11 2.0956 2.78 3.521 1 0 35.53 6 2 18 0

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