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.



9 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC86412
Formula: C6H14O6

Ingredient ID: NPC72722
Formula: C17H32O4

Ingredient ID: NPC294902
Formula: C9H8O4

Ingredient ID: NPC290613
Formula: C29H50O

Ingredient ID: NPC29
Formula: C29H50O

Ingredient ID: NPC278102
Formula: C7H6O3

Ingredient ID: NPC243728
Formula: C35H60O6

Ingredient ID: NPC236709
Formula: C4H6O4

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC220724
Formula: C6H14O6

Ingredient ID: NPC192065
Formula: C6H14O6

Ingredient ID: NPC1075
Formula: C9H8O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC1075 C9H8O4 (Z)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid 180.04 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
NPC192065 C6H14O6 Alexitol Sodium 182.08 -2.9402 1.46 -3.896 6 6 121.38 11 0 12 1
NPC220724 C6H14O6 (2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol 182.0790382 -2.9402 1.46 -3.896 6 6 121.38 5 0 12 1
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC236709 C4H6O4 Succinic Acid 118.03 -0.41 1.46 -0.71 4 2 74.6 5 0 8 0
NPC243728 C35H60O6 Daucosterol 576.44 -0.4469 4.65 10.487 6 4 99.38 19 5 41 1
NPC278102 C7H6O3 Protocatechualdehyde 138.03 -1.113 1.9 0.95 1 2 57.53 3 1 10 0
NPC29 C29H50O (3S)-17-(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
NPC290613 C29H50O 17-(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
NPC294902 C9H8O4 Caffeic Acid 180.04 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
NPC72722 C17H32O4 2-Dodecyl-3-Methylbutanedioic Acid 300.23 -2.9026 2.89 6.135 4 2 74.6 18 0 21 2
NPC86412 C6H14O6 Mannitol 182.08 -2.9402 1.46 -3.896 6 6 121.38 11 0 12 1

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