9 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: NPC68148
Formula: C28H36O4

Ingredient ID: NPC307063
Formula: C30H50O

Ingredient ID: NPC292419
Formula: C30H52O

Ingredient ID: NPC287063
Formula: C28H36O3

Ingredient ID: NPC251735
Formula: C37H40N2O6

Ingredient ID: NPC211230
Formula: C28H36O4

Ingredient ID: NPC174167
Formula: C30H40O4

Ingredient ID: NPC157919
Formula: C30H38O4

Ingredient ID: NPC112454
Formula: C29H38O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC112454 C29H38O4 Celastrol 450.28 2.4831 4.21 7.98 4 2 74.6 9 5 33 1
NPC157919 C30H38O4 methyl (2R,4aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6,6a,9,14a-hexamethyl-11-oxo-3,4,5,13,14,14b-hexahydro-1H-picene-2-carboxylate 462.2770097 3.5119 4.32 7.422 4 1 63.6 2 5 34 1
NPC174167 C30H40O4 Pristimerin 464.29 2.7341 4.32 8.301 4 1 63.6 10 5 34 1
NPC211230 C28H36O4 Tingenin B 436.26 1.4807 4.1 6.191 4 2 74.6 8 5 32 1
NPC251735 C37H40N2O6 608.29 -0.1345 4.65 5.579 2 1 72.86 9 6 45 1
NPC287063 C28H36O3 Tingenone 420.27 2.1329 4.21 7.159 3 1 54.37 7 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
NPC68148 C28H36O4 20Alpha-Hydroxytingenone 436.26 1.5324 4.1 6.43 4 2 74.6 8 5 32 1

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