12 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: NPC97568
Formula: C6H13N3

Ingredient ID: NPC80230
Formula: C22H22O7

Ingredient ID: NPC6450
Formula: C22H32O5

Ingredient ID: NPC253366
Formula: C6H13N3.H2O4S

Ingredient ID: NPC239890
Formula: C22H20O8

Ingredient ID: NPC238040
Formula: C19H30O9

Ingredient ID: NPC237946
Formula: C22H22O8

Ingredient ID: NPC219826
Formula: C19H30O8

Ingredient ID: NPC209411
Formula: C22H20O8

Ingredient ID: NPC169037
Formula: C22H20O8

Ingredient ID: NPC133671
Formula: C21H20O11

Ingredient ID: NPC117911
Formula: C21H16O8

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC117911 C21H16O8 396.0845175 -1.4064 2.89 1.054 2 2 103.68 7 5 29 0
NPC133671 C21H20O11 Astragalin 448.1 -4.4318 2.56 0.18 7 7 186.37 11 4 32 1
NPC169037 C22H20O8 (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione 412.1158176 -1.0923 3 1.212 3 0 89.52 4 5 30 0
NPC209411 C22H20O8 Picropodophyllone 412.12 -1.0923 3 1.212 3 0 89.52 7 5 30 0
NPC219826 C19H30O8 386.1940679 -1.338 2.67 -0.694 8 5 136.68 6 2 27 0
NPC237946 C22H22O8 Podofilox 414.13 -1.5006 3 1.259 3 1 92.68 8 5 30 0
NPC238040 C19H30O9 402.1889825 -2.0817 2.56 -1.596 9 6 156.91 6 2 28 1
NPC239890 C22H20O8 Isopicropodophyllone 412.12 -1.0923 3 1.212 3 0 89.52 7 5 30 0
NPC253366 C6H13N3.H2O4S 127.1109474 1.0983 1.79 1.018 3 3 61.9 6 0 9 0
NPC6450 C22H32O5 [(1S,2R,8aS)-1-[2-(furan-3-yl)ethyl]-1-hydroxy-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl] acetate 376.2249741 0.1554 3.33 4.084 4 1 76.74 5 3 27 0
NPC80230 C22H22O7 Desoxypodophyllotoxin 398.14 -0.6687 3.11 2.289 2 0 72.45 7 5 29 0
NPC97568 C6H13N3 127.1109474 1.0983 1.79 1.018 3 3 61.9 6 0 9 0

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