11 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: NPC98102
Formula: C30H50O2

Ingredient ID: NPC93433
Formula: C20H20O6

Ingredient ID: NPC66655
Formula: C7H8O

Ingredient ID: NPC4460
Formula: C16H22O10

Ingredient ID: NPC32298
Formula: C15H10O2

Ingredient ID: NPC243728
Formula: C35H60O6

Ingredient ID: NPC234306
Formula: CH4O

Ingredient ID: NPC196776
Formula: C30H50

Ingredient ID: NPC190889
Formula: C20H24O12

Ingredient ID: NPC113961
Formula: C76H52O46

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC113961 C76H52O46 1700.172974 -12.6304 4.76 2.662 16 25 777.98 31 11 122 3
NPC190889 C20H24O12 methyl (1S,4aS,7R,7aS)-4'-(hydroxymethyl)-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate 456.1267762 -2.9884 2.34 -1.296 12 5 181.44 6 4 32 1
NPC196776 C30H50 (3R,8R,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene 410.3912516 2.7031 4.76 13.664 0 0 0 5 4 30 1
NPC234306 CH4O Methyl Alcohol 32.03 -0.358 1.46 -0.499 1 1 20.23 1 0 2 0
NPC243728 C35H60O6 Daucosterol 576.44 -0.4469 4.65 10.487 6 4 99.38 19 5 41 1
NPC32298 C15H10O2 Flavone 222.07 -0.5036 2.89 5.3 1 0 26.3 1 3 17 1
NPC4460 C16H22O10 (4R,4aR)-4-ethenyl-4a-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one 374.1212969 -3.1892 2.12 -1.4 10 5 155.14 4 3 26 0
NPC66655 C7H8O Benzyl Alcohol 108.06 -0.4487 2.12 2.409 1 1 20.23 2 1 8 0
NPC93433 C20H20O6 (-)-Balanophonin 356.13 -1.3545 3 1.738 2 2 85.22 10 3 26 0
NPC98102 C30H50O2 442.3810808 1.2749 4.54 9.261 2 2 40.46 1 5 32 1

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