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.



11 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC71074
Formula: C30H48O4

Ingredient ID: NPC51700
Formula: C30H48O3

Ingredient ID: NPC50898
Formula: C15H10O5

Ingredient ID: NPC311485
Formula: C15H12O5

Ingredient ID: NPC302241
Formula: C16H26O6

Ingredient ID: NPC279121
Formula: C15H10O6

Ingredient ID: NPC253448
Formula: C10H18O2

Ingredient ID: NPC231018
Formula: C18H16O7

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC206365
Formula: C10H14O

Ingredient ID: NPC190771
Formula: C10H16O

Ingredient ID: NPC18205
Formula: C10H16O

Ingredient ID: NPC142415
Formula: C30H48O3

Ingredient ID: NPC120163
Formula: C17H14O6

Ingredient ID: NPC105242
Formula: C19H18O8

Ingredient ID: NPC103342
Formula: C16H12O6

Ingredient ID: NPC101830
Formula: C18H16O7

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC101830 C18H16O7 Penduletin 344.09 -1.9197 2.67 1.882 2 2 94.45 9 3 25 0
NPC103342 C16H12O6 Isokaempferide 300.06 -2.2764 2.56 1.807 2 3 96.22 6 3 22 0
NPC105242 C19H18O8 374.1001675 -1.9715 2.67 1.438 2 2 103.68 11 3 27 0
NPC120163 C17H14O6 Cirsimaritin 314.08 -1.5278 2.67 1.642 1 2 85.22 7 3 23 0
NPC142415 C30H48O3 Oleanolic_Acid 456.36 2.1298 4.43 9.052 3 2 57.53 10 5 33 1
NPC18205 C10H16O Citral 152.12 2.4893 2.45 2.701 1 0 17.07 7 0 11 0
NPC190771 C10H16O (2Z)-3,7-dimethylocta-2,6-dienal 152.1201151 2.4893 2.45 2.701 1 0 17.07 4 0 11 0
NPC206365 C10H14O 2-[(1R)-4-methylcyclohex-3-en-1-yl]prop-2-enal 150.1044651 1.308 2.45 2.355 1 0 17.07 2 1 11 0
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC231018 C18H16O7 Xanthomicrol 344.09 -1.5796 2.67 1.198 1 2 94.45 9 3 25 0
NPC253448 C10H18O2 (1S,2S,4R)-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol 170.1306798 0.7982 2.34 1.703 2 2 40.46 1 1 12 0
NPC279121 C15H10O6 Luteolin 286.05 -2.3448 2.45 1.033 1 4 107.22 5 3 21 0
NPC302241 C16H26O6 314.1729386 -0.6952 2.56 0.74 6 4 99.38 5 2 22 0
NPC311485 C15H12O5 (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one 272.0684735 -1.8144 2.56 0.897 1 3 86.99 1 3 20 0
NPC50898 C15H10O5 Apigenin 270.05 -1.8845 2.56 1.567 1 3 86.99 4 3 20 0
NPC51700 C30H48O3 Ursolic Acid 456.36 1.4838 4.43 8.954 3 2 57.53 10 5 33 1
NPC71074 C30H48O4 Corosolic Acid 472.36 1.2611 4.32 8.142 4 3 77.76 11 5 34 1

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1. General Information & structure data (InChi, InChiKey, SMILES)  
2. Physico-chemical Properties