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.



5 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC96507
Formula: C33H52O5

Ingredient ID: NPC4138
Formula: C28H38N2O4

Ingredient ID: NPC284183
Formula: C28H38N2O4

Ingredient ID: NPC270578
Formula: C21H22O11

Ingredient ID: NPC20791
Formula: C15H10O7

Ingredient ID: NPC19125
Formula: C30H48O4

Ingredient ID: NPC187022
Formula: C29H40N2O4

Ingredient ID: NPC141573
Formula: C21H22O11

Ingredient ID: NPC125467
Formula: C15H16O9

Ingredient ID: NPC121275
Formula: C27H36N2O4

Ingredient ID: NPC116850
Formula: C14H16O9

Ingredient ID: NPC109925
Formula: C27H36N2O5

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC109925 C27H36N2O5 Klugine 468.26 -1.7138 3.66 2.545 3 4 94.42 11 5 34 0
NPC116850 C14H16O9 Bergenin 328.08 -2.8389 2.01 -2.021 6 5 145.91 8 3 23 0
NPC121275 C27H36N2O4 452.2675076 -1.3239 3.77 3.552 2 3 74.19 10 5 33 0
NPC125467 C15H16O9 5,7-dihydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one 340.0794321 -3.5457 2.12 -0.503 6 5 145.91 2 3 24 0
NPC141573 C21H22O11 (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one 450.1162115 -4.1738 2.56 -0.806 6 7 186.37 3 4 32 1
NPC187022 C29H40N2O4 Emetine 480.3 -0.5069 3.99 4.161 2 1 52.19 12 5 35 0
NPC19125 C30H48O4 (4aR,6aR,6aR,6bR,8R,8aR,10S,12aR,14bR)-8,10-dihydroxy-2,2,4a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-6a-carboxylic acid 472.35526 1.3635 4.32 8.206 4 3 77.76 1 5 34 1
NPC20791 C15H10O7 Quercetin 302.04 -2.8012 2.34 1.381 2 5 127.45 6 3 22 0
NPC270578 C21H22O11 450.1162115 -4.1738 2.56 -0.806 11 7 186.37 11 4 32 1
NPC284183 C28H38N2O4 466.2831577 -0.9154 3.88 3.642 2 2 63.19 11 5 34 0
NPC4138 C28H38N2O4 Isocephaeline 466.28 -0.9154 3.88 3.642 2 2 63.19 11 5 34 0
NPC96507 C33H52O5 528.3814748 1.9936 4.54 9.267 5 1 72.83 4 5 38 1

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