22 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.



10 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC97278
Formula: C11H14O5

Ingredient ID: NPC94101
Formula: C32H48O5

Ingredient ID: NPC51959
Formula: C8H17N

Ingredient ID: NPC49041
Formula: C21H22O4

Ingredient ID: NPC37496
Formula: C20H20O4

Ingredient ID: NPC309697
Formula: C45H80O2

Ingredient ID: NPC292747
Formula: C18H27NO5

Ingredient ID: NPC274505
Formula: C22H36N2

Ingredient ID: NPC264317
Formula: C30H48O3

Ingredient ID: NPC246086
Formula: C22H24O5

Ingredient ID: NPC243728
Formula: C35H60O6

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC206432
Formula: C21H22O4

Ingredient ID: NPC197525
Formula: C20H18O6

Ingredient ID: NPC192638
Formula: C30H50O

Ingredient ID: NPC167301
Formula: C8H17N

Ingredient ID: NPC166845
Formula: C7H14O6

Ingredient ID: NPC157893
Formula: C21H22O4

Ingredient ID: NPC148757
Formula: C21H22O5

Ingredient ID: NPC142415
Formula: C30H48O3

Ingredient ID: NPC120840
Formula: C32H50O4

Ingredient ID: NPC1089
Formula: C20H20O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC1089 C20H20O4 (S)-5,7-Dihydroxy-6-Prenylflavanone 324.14 0.5233 3.22 3.963 1 2 66.76 7 3 24 0
NPC120840 C32H50O4 Acetyl Oleanolic Acid 498.37 2.5089 4.54 9.792 4 1 63.6 12 5 36 1
NPC142415 C30H48O3 Oleanolic_Acid 456.36 2.1298 4.43 9.052 3 2 57.53 10 5 33 1
NPC148757 C21H22O5 4'-O-Methyl-8-Prenylnaringenin 354.15 0.4715 3.22 2.886 1 2 75.99 9 3 26 0
NPC157893 C21H22O4 (2S)-5,7-dihydroxy-6-methyl-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one 338.1518092 1.1653 3.33 4.075 1 2 66.76 3 3 25 0
NPC166845 C7H14O6 194.0790382 -2.6557 1.57 -1.797 6 5 110.38 1 1 13 0
NPC167301 C8H17N Coniine 127.14 -1.8479 2.23 2.075 1 1 12.03 3 1 9 0
NPC192638 C30H50O Lupeol 426.39 3.2313 4.65 11.901 1 1 20.23 9 5 31 1
NPC197525 C20H18O6 (4R)-4,5-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one 354.1103383 -1.2393 3 2.128 2 3 96.22 1 4 26 0
NPC206432 C21H22O4 (2S)-5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one 338.1518092 0.9318 3.33 4.482 1 1 55.76 4 3 25 0
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
NPC246086 C22H24O5 (2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-6-methyl-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one 368.1623739 1.1135 3.33 2.998 1 2 75.99 4 3 27 0
NPC264317 C30H48O3 Betulinic Acid 456.36 2.3495 4.43 9.407 3 2 57.53 10 5 33 1
NPC274505 C22H36N2 328.2878492 -0.5542 3.66 4.521 2 2 24.06 1 5 24 0
NPC292747 C18H27NO5 [(1S,7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate 337.188923 0.4996 2.78 1.684 6 1 76.07 8 2 24 0
NPC309697 C45H80O2 [(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] hexadecanoate 652.6158318 -1.9887 6.19 19.985 2 0 26.3 22 4 47 2
NPC37496 C20H20O4 Glabranin 324.14 0.5233 3.22 3.963 1 2 66.76 7 3 24 0
NPC49041 C21H22O4 (2S)-5,7-dihydroxy-8-methyl-6-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one 338.1518092 1.1653 3.33 4.075 1 2 66.76 3 3 25 0
NPC51959 C8H17N 2-propylpiperidin-1-ium 128.1439246 -2.8714 2.23 2.187 0 1 16.61 2 1 9 0
NPC94101 C32H48O5 512.3501746 1.8798 4.43 7.819 5 0 65.13 2 7 37 1
NPC97278 C11H14O5 226.0841235 -1.063 2.12 0.786 5 0 53.99 2 1 16 0

Download Data

All data can be downloaded by:

   → Selecting data type in the below download table
   → Then click the download button.
Data Section
Select to Download
1. General Information & structure data (InChi, InChiKey, SMILES)  
2. Physico-chemical Properties