10 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.



6 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC85473
Formula: C21H20O10

Ingredient ID: NPC72722
Formula: C17H32O4

Ingredient ID: NPC50898
Formula: C15H10O5

Ingredient ID: NPC290613
Formula: C29H50O

Ingredient ID: NPC29
Formula: C29H50O

Ingredient ID: NPC27699
Formula: C4H4N2O2

Ingredient ID: NPC236709
Formula: C4H6O4

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC197316
Formula: C29H36O15

Ingredient ID: NPC183950
Formula: C16H12O6

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC183950 C16H12O6 Chrysoeriol 300.06 -1.9363 2.56 1.123 1 3 96.22 6 3 22 0
NPC197316 C29H36O15 Acetoside 624.21 -4.2978 3 -0.202 11 9 245.29 21 4 44 3
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
NPC27699 C4H4N2O2 112.0272774 -0.9206 1.46 -0.462 2 2 66.24 2 1 8 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
NPC50898 C15H10O5 Apigenin 270.05 -1.8845 2.56 1.567 1 3 86.99 4 3 20 0
NPC72722 C17H32O4 2-Dodecyl-3-Methylbutanedioic Acid 300.23 -2.9026 2.89 6.135 4 2 74.6 18 0 21 2
NPC85473 C21H20O10 5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 432.1056468 -3.6314 2.67 0.459 6 6 166.14 4 4 31 1

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