17 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: NPC76336
Formula: C10H8O4

Ingredient ID: NPC307848
Formula: C31H52O

Ingredient ID: NPC274613
Formula: C9H10O4

Ingredient ID: NPC271358
Formula: C15H15NO3

Ingredient ID: NPC269367
Formula: C12H9NO2

Ingredient ID: NPC250476
Formula: C11H11NO2

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC195359
Formula: C31H52O3

Ingredient ID: NPC163557
Formula: C14H12O4

Ingredient ID: NPC155465
Formula: C15H16O4

Ingredient ID: NPC149203
Formula: C29H48O

Ingredient ID: NPC144054
Formula: C29H48O2

Ingredient ID: NPC143448
Formula: C11H14N2O4

Ingredient ID: NPC141765
Formula: C22H26O8

Ingredient ID: NPC138272
Formula: C31H52O

Ingredient ID: NPC111888
Formula: C8H8O4

Ingredient ID: NPC110899
Formula: C9H10O5

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC110899 C9H10O5 Syringic Acid 198.05 -0.8037 1.9 0.182 2 2 75.99 7 1 14 0
NPC111888 C8H8O4 Vanillic Acid 168.04 -0.7519 1.9 0.626 2 2 66.76 5 1 12 0
NPC138272 C31H52O 440.4018163 3.3491 4.76 11.954 1 1 20.23 0 5 32 1
NPC141765 C22H26O8 Syringaresinol 418.16 -2.1258 3 0.796 2 2 95.84 12 4 30 0
NPC143448 C11H14N2O4 (5E)-5-[[(3R,4S)-4-ethyl-5-oxooxolan-3-yl]methylidene]-1-methylimidazolidine-2,4-dione 238.0953569 -1.4879 2.01 0.384 6 1 79.2 2 2 17 0
NPC144054 C29H48O2 (6R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 428.3654308 1.3831 4.43 9.98 2 1 37.3 6 4 31 1
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
NPC155465 C15H16O4 7-hydroxy-6-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one 260.104859 1.2907 2.67 3.471 1 1 55.76 3 2 19 0
NPC163557 C14H12O4 244.0735589 0.8215 2.56 1.494 1 1 55.76 3 3 18 0
NPC195359 C31H52O3 472.3916455 2.3706 4.54 8.927 3 1 46.53 2 5 34 1
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC250476 C11H11NO2 4-Methoxy-1-Methylquinolin-2-One 189.08 -0.67 2.34 2.224 3 0 29.54 3 2 14 0
NPC269367 C12H9NO2 Dictamnine 199.06 -0.2059 2.45 2.723 1 0 35.26 2 3 15 0
NPC271358 C15H15NO3 257.1051933 -0.0721 2.67 2.965 2 1 55.49 2 3 19 0
NPC274613 C9H10O4 182.0579088 -0.7563 2.01 0.596 1 1 55.76 6 1 13 0
NPC307848 C31H52O 440.4018163 3.6735 4.76 12.152 1 1 20.23 0 5 32 1
NPC76336 C10H8O4 Scopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0

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