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.



8 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC95589
Formula: C10H26N4

Ingredient ID: NPC88278
Formula: C6H12O6

Ingredient ID: NPC60791
Formula: C18H16O7

Ingredient ID: NPC309330
Formula: C4H12N2

Ingredient ID: NPC306277
Formula: C5H14N2

Ingredient ID: NPC289668
Formula: C29H48O

Ingredient ID: NPC285893
Formula: C29H48O

Ingredient ID: NPC278881
Formula: C7H16N4O2

Ingredient ID: NPC270319
Formula: C6H16N4

Ingredient ID: NPC256558
Formula: C5H8N2O5

Ingredient ID: NPC232792
Formula: C5H8N2O5

Ingredient ID: NPC23244
Formula: C29H48O

Ingredient ID: NPC20791
Formula: C15H10O7

Ingredient ID: NPC193536
Formula: C7H19N3

Ingredient ID: NPC168496
Formula: C21H20O11

Ingredient ID: NPC163099
Formula: C5H14N4

Ingredient ID: NPC162742
Formula: C28H48O

Ingredient ID: NPC157192
Formula: C29H50O

Ingredient ID: NPC152927
Formula: C11H15N3O7

Ingredient ID: NPC13342
Formula: C5H8N2O5

Ingredient ID: NPC110956
Formula: C14H25N3O9

Ingredient ID: NPC106770
Formula: C29H48O

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC106770 C29H48O (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 412.3705162 2.3613 4.54 10.629 1 1 20.23 5 4 30 1
NPC110956 C14H25N3O9 379.1590794 -4.5471 1.68 -3.119 12 9 207.92 6 2 26 2
NPC13342 C5H8N2O5 (2S)-3-amino-2-(oxaloamino)propanoic acid 176.0433214 -2.0098 1.24 -4.355 7 4 129.72 5 0 12 0
NPC152927 C11H15N3O7 (2S)-2-amino-5-[[(1S)-1-carboxy-2-(5-oxo-1,2-oxazol-2-yl)ethyl]amino]-5-oxopentanoic acid 301.0909998 -2.1047 1.57 -4.33 8 4 162.75 8 1 21 0
NPC157192 C29H50O (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-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-ol 414.3861662 1.3 4.54 11.595 1 1 20.23 6 4 30 1
NPC162742 C28H48O 400.3705162 1.9762 4.43 11.026 1 1 20.23 12 4 29 1
NPC163099 C5H14N4 Agmatine 130.12 -1.7722 1.57 -0.243 4 4 87.92 7 0 9 0
NPC168496 C21H20O11 448.1005615 -4.0481 2.56 0.976 6 7 186.37 4 4 32 1
NPC193536 C7H19N3 Spermidine 145.16 -2.7378 1.9 -0.654 3 3 64.07 9 0 10 0
NPC20791 C15H10O7 Quercetin 302.04 -2.8012 2.34 1.381 2 5 127.45 6 3 22 0
NPC23244 C29H48O 412.3705162 2.3613 4.54 10.819 1 1 20.23 5 4 30 1
NPC232792 C5H8N2O5 (2S)-2-amino-3-(oxaloamino)propanoic acid 176.0433214 -2.0098 1.24 -4.355 7 4 129.72 5 0 12 0
NPC256558 C5H8N2O5 (2R)-3-amino-2-(oxaloamino)propanoic acid 176.0433214 -2.0098 1.24 -4.355 7 4 129.72 5 0 12 0
NPC270319 C6H16N4 2-(5-Aminopentyl)Guanidine 144.14 -2.0602 1.68 0.115 4 4 87.92 8 0 10 0
NPC278881 C7H16N4O2 188.1273258 -2.4687 1.57 -2.566 6 5 125.22 10 0 13 0
NPC285893 C29H48O 412.3705162 1.881 4.54 10.779 1 1 20.23 12 4 30 1
NPC289668 C29H48O (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 412.3705162 1.2566 4.54 11.071 1 1 20.23 5 4 30 1
NPC306277 C5H14N2 Pentane-1,5-Diamine 102.12 -2.3406 1.79 -0.268 2 2 52.04 6 0 7 0
NPC309330 C4H12N2 Putrescine 88.1 -2.0526 1.68 -0.626 2 2 52.04 5 0 6 0
NPC60791 C18H16O7 344.0896029 -1.4985 2.67 0.962 1 1 75.61 2 5 25 0
NPC88278 C6H12O6 Inositol 180.06 -3.0642 1.46 -1.458 6 6 121.38 6 1 12 1
NPC95589 C10H26N4 Spermine 202.22 -3.423 2.12 -0.682 4 4 76.1 13 0 14 1

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1. General Information & structure data (InChi, InChiKey, SMILES)  
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