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.



10 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC83089
Formula: C29H50O

Ingredient ID: NPC8220
Formula: C30H50O

Ingredient ID: NPC51700
Formula: C30H48O3

Ingredient ID: NPC27765
Formula: C30H50O

Ingredient ID: NPC271652
Formula: C22H30O5

Ingredient ID: NPC260323
Formula: C20H30O

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC220930
Formula: C20H28O4

Ingredient ID: NPC176130
Formula: C20H28O2

Ingredient ID: NPC149203
Formula: C29H48O

Ingredient ID: NPC145379
Formula: C18H16O6

Ingredient ID: NPC142415
Formula: C30H48O3

Ingredient ID: NPC120840
Formula: C32H50O4

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
NPC120840 C32H50O4 Acetyl Oleanolic Acid 498.37 2.5089 4.54 9.792 4 1 63.6 12 5 36 1
NPC142415 C30H48O3 Oleanolic_Acid 456.36 2.1298 4.43 9.052 3 2 57.53 10 5 33 1
NPC145379 C18H16O6 328.0946882 -1.1193 2.78 2.161 1 1 74.22 8 3 24 0
NPC149203 C29H48O (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 412.3705162 1.9562 4.54 11.588 1 0 17.07 6 4 30 1
NPC176130 C20H28O2 Sugiol 300.21 0.7759 3.44 6.294 1 1 37.3 7 3 22 1
NPC220930 C20H28O4 Horminone 332.2 0.4682 3.22 4.369 4 2 74.6 8 3 24 0
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC260323 C20H30O Ferruginol 286.23 1.3229 3.55 8.211 0 1 20.23 7 3 21 1
NPC271652 C22H30O5 374.21 0.8473 3.33 5.109 5 1 80.67 10 3 27 1
NPC27765 C30H50O Alpha-Amyrin 426.39 2.3656 4.65 11.448 1 1 20.23 9 5 31 1
NPC51700 C30H48O3 Ursolic Acid 456.36 1.4838 4.43 8.954 3 2 57.53 10 5 33 1
NPC8220 C30H50O 426.3861662 3.0116 4.65 11.546 1 1 20.23 0 5 31 1
NPC83089 C29H50O (3S,8S,9S,10R,13R,14S,17S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 414.3861662 1.3 4.54 11.595 1 1 20.23 6 4 30 1

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