18 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.



8 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC99751
Formula: C19H22O4

Ingredient ID: NPC97099
Formula: C30H50O

Ingredient ID: NPC58541
Formula: C26H30O8

Ingredient ID: NPC45389
Formula: C12H9NO2

Ingredient ID: NPC34770
Formula: C14H13NO4

Ingredient ID: NPC305016
Formula: C26H30O8

Ingredient ID: NPC284235
Formula: C15H13NO4

Ingredient ID: NPC254876
Formula: C16H18O4

Ingredient ID: NPC241813
Formula: C19H21NO2

Ingredient ID: NPC235682
Formula: C19H22O4

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC217176
Formula: C14H13NO4

Ingredient ID: NPC192638
Formula: C30H50O

Ingredient ID: NPC175214
Formula: C35H46O20

Ingredient ID: NPC168922
Formula: C13H9NO4

Ingredient ID: NPC144015
Formula: C20H31NO7

Ingredient ID: NPC140296
Formula: C14H13NO4

Ingredient ID: NPC131885
Formula: C13H11NO3

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC131885 C13H11NO3 Gamma-Fagarine 229.07 -0.2577 2.45 2.068 1 0 44.49 4 3 17 0
NPC140296 C14H13NO4 259.0844579 -0.3095 2.45 1.624 1 0 53.72 6 3 19 0
NPC144015 C20H31NO7 [7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoate 397.2100523 0.0321 2.78 -0.005 8 3 116.53 9 2 28 0
NPC168922 C13H9NO4 Maculine 243.05 -0.5086 2.34 1.551 1 0 53.72 2 4 18 0
NPC175214 C35H46O20 Echinacoside 786.26 -6.0447 3.11 -1.31 16 12 324.44 27 5 55 3
NPC192638 C30H50O Lupeol 426.39 3.2313 4.65 11.901 1 1 20.23 9 5 31 1
NPC217176 C14H13NO4 Kokusaginine 259.08 -0.3095 2.45 1.624 1 0 53.72 6 3 19 0
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC235682 C19H22O4 (2R)-2-(2-hydroxypropan-2-yl)-6-(2-methylbut-3-en-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one 314.1518092 1.7945 3.11 4.476 2 1 55.76 3 3 23 0
NPC241813 C19H21NO2 295.1572289 2.0692 3.22 4.591 1 1 42.35 2 3 22 0
NPC254876 C16H18O4 6,7-dimethoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one 274.1205091 1.6992 2.78 3.99 1 0 44.76 4 2 20 0
NPC284235 C15H13NO4 271.0844579 -0.3886 2.56 1.046 2 0 53.72 2 4 20 0
NPC305016 C26H30O8 Limonin 470.19 -0.4484 3.44 1.644 7 0 104.57 5 7 34 0
NPC34770 C14H13NO4 Skimmianine 259.08 -0.3095 2.45 1.624 1 0 53.72 6 3 19 0
NPC45389 C12H9NO2 199.0633285 -0.3024 2.45 2.479 2 0 33.45 1 3 15 0
NPC58541 C26H30O8 470.1940679 -0.4484 3.44 1.644 7 0 104.57 1 7 34 0
NPC97099 C30H50O (3S,4aR,6aS,6bS,8aR,11R,12S,12aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,13,14-tetradecahydro-1H-picen-3-ol 426.3861662 2.3633 4.65 10.703 1 1 20.23 0 5 31 1
NPC99751 C19H22O4 (3R)-3-hydroxy-2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-3,4-dihydropyrano[3,2-g]chromen-8-one 314.1518092 1.7945 3.11 4.476 2 1 55.76 2 3 23 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