11 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: NPC6984
Formula: C8H8O2

Ingredient ID: NPC62657
Formula: C30H50O

Ingredient ID: NPC300776
Formula: C21H24O6

Ingredient ID: NPC29883
Formula: C7H6O3

Ingredient ID: NPC292402
Formula: C30H50O

Ingredient ID: NPC243728
Formula: C35H60O6

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC209846
Formula: C21H20O10

Ingredient ID: NPC209177
Formula: C51H90O7

Ingredient ID: NPC119432
Formula: C21H20O11

Ingredient ID: NPC111888
Formula: C8H8O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC111888 C8H8O4 Vanillic Acid 168.04 -0.7519 1.9 0.626 2 2 66.76 5 1 12 0
NPC119432 C21H20O11 448.1005615 -4.0917 2.56 -0.504 11 7 186.37 4 4 32 1
NPC209177 C51H90O7 [(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-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-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate 814.6686552 -3.7356 6.3 18.448 7 3 105.45 25 5 58 2
NPC209846 C21H20O10 Vitexin 432.11 -4.1202 2.67 -0.508 6 7 177.14 10 4 31 1
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC243728 C35H60O6 Daucosterol 576.44 -0.4469 4.65 10.487 6 4 99.38 19 5 41 1
NPC292402 C30H50O (3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol 426.3861662 2.5638 4.65 11.796 1 1 20.23 0 5 31 1
NPC29883 C7H6O3 Paraben 138.03 -0.7001 1.9 1.07 2 2 57.53 3 1 10 0
NPC300776 C21H24O6 (3S,4S)-4-[(3,4-Dimethoxyphenyl)Methyl]-3-[(4-Hydroxy-3-Methoxyphenyl)Methyl]Oxolan-2-One 372.16 -0.5036 3.11 2.934 2 1 74.22 11 3 27 0
NPC62657 C30H50O 426.3861662 3.2313 4.65 11.901 1 1 20.23 9 5 31 1
NPC6984 C8H8O2 4-Hydroxyacetophenone 136.05 -0.7142 2.12 1.335 1 1 37.3 3 1 10 0

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