19 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: NPC6530
Formula: C9H8O2

Ingredient ID: NPC292402
Formula: C30H50O

Ingredient ID: NPC27714
Formula: C28H40O

Ingredient ID: NPC261973
Formula: C20H14O4

Ingredient ID: NPC226499
Formula: C15H14O6

Ingredient ID: NPC216630
Formula: C16H32O2

Ingredient ID: NPC209970
Formula: C18H36O2

Ingredient ID: NPC20791
Formula: C15H10O7

Ingredient ID: NPC20610
Formula: C29H48O

Ingredient ID: NPC205650
Formula: C21H30O6

Ingredient ID: NPC205160
Formula: C10H10O4

Ingredient ID: NPC149839
Formula: C10H10O4

Ingredient ID: NPC143168
Formula: C17H26O4

Ingredient ID: NPC142415
Formula: C30H48O3

Ingredient ID: NPC141836
Formula: C28H46O4

Ingredient ID: NPC134358
Formula: C10H10O3

Ingredient ID: NPC116775
Formula: C15H10O6

Ingredient ID: NPC108831
Formula: C21H20O10

Ingredient ID: NPC106402
Formula: C35H68O2

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC106402 C35H68O2 520.5219314 -8.9834 5.09 17.538 2 0 26.3 30 1 37 2
NPC108831 C21H20O10 432.1056468 -3.5878 2.67 1.51 10 6 166.14 10 4 31 1
NPC116775 C15H10O6 Kaempferol 286.05 -2.3409 2.45 1.915 2 4 107.22 5 3 21 0
NPC134358 C10H10O3 (3S)-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one 178.0629942 -0.4881 2.23 2.453 2 1 46.53 0 2 13 0
NPC141836 C28H46O4 octadecyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 446.33961 -4.7872 4.1 10.868 2 1 55.76 21 1 32 2
NPC142415 C30H48O3 Oleanolic_Acid 456.36 2.1298 4.43 9.052 3 2 57.53 10 5 33 1
NPC143168 C17H26O4 Embelin 294.18 -3.4988 2.89 6.234 4 2 74.6 13 1 21 1
NPC149839 C10H10O4 194.0579088 -0.9484 2.12 1.279 2 2 66.76 0 2 14 0
NPC205160 C10H10O4 194.0579088 -0.9484 2.12 1.708 2 2 66.76 0 2 14 0
NPC205650 C21H30O6 378.2042387 -3.0962 3.11 3.733 6 1 89.9 9 3 27 0
NPC20610 C29H48O Beta-Sitostenone 412.37 1.8421 4.54 11.375 1 0 17.07 12 4 30 1
NPC20791 C15H10O7 Quercetin 302.04 -2.8012 2.34 1.381 2 5 127.45 6 3 22 0
NPC209970 C18H36O2 Stearic Acid 284.27 -4.4737 3.22 8.708 2 1 37.3 18 0 20 2
NPC216630 C16H32O2 Palmitic Acid 256.24 -3.8977 3 7.57 2 1 37.3 16 0 18 2
NPC226499 C15H14O6 290.0790382 -0.2635 2.45 1.339 5 1 89.9 4 2 21 0
NPC261973 C20H14O4 318.0892089 -1.8412 3.22 3.816 0 4 80.92 5 4 24 0
NPC27714 C28H40O (9R,10R,13R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one 392.3079159 2.866 4.43 8.963 1 0 17.07 4 4 29 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
NPC6530 C9H8O2 3-phenylprop-2-enoic acid 148.0524295 0.1213 2.23 3.904 2 1 37.3 2 1 11 0

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