16 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: NPC9600
Formula: C26H34O7

Ingredient ID: NPC53954
Formula: C32H42O7

Ingredient ID: NPC42264
Formula: C30H36O9

Ingredient ID: NPC299856
Formula: C26H54O

Ingredient ID: NPC26974
Formula: C29H60

Ingredient ID: NPC259205
Formula: C29H38O7

Ingredient ID: NPC253410
Formula: C26H34O6

Ingredient ID: NPC202551
Formula: C35H60O6

Ingredient ID: NPC197596
Formula: C28H34O6

Ingredient ID: NPC179950
Formula: C21H20O12

Ingredient ID: NPC179403
Formula: C28H34O6

Ingredient ID: NPC17810
Formula: C40H56

Ingredient ID: NPC159362
Formula: C29H50O

Ingredient ID: NPC133671
Formula: C21H20O11

Ingredient ID: NPC12343
Formula: C26H34O7

Ingredient ID: NPC116717
Formula: C30H36O9

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC116717 C30H36O9 Nimbin 540.24 1.012 3.77 1.511 8 0 118.34 15 5 39 0
NPC12343 C26H34O7 458.2304534 -0.7182 3.55 0.526 6 3 109.36 3 6 33 0
NPC133671 C21H20O11 Astragalin 448.1 -4.4318 2.56 0.18 7 7 186.37 11 4 32 1
NPC159362 C29H50O (3S,8R,9R,10R,13R,14R,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-ol 414.3861662 1.3 4.54 11.595 1 1 20.23 6 4 30 1
NPC17810 C40H56 Beta Carotene 536.44 8.935 5.86 14.734 0 0 0 20 2 40 1
NPC179403 C28H34O6 466.2355388 0.8496 3.88 3.243 5 0 86.11 3 6 34 0
NPC179950 C21H20O12 Isoquercetin 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
NPC197596 C28H34O6 Epoxyazadiradione 466.24 0.8496 3.88 3.243 5 0 86.11 9 6 34 0
NPC202551 C35H60O6 576.4389896 -0.4469 4.65 10.487 6 4 99.38 9 5 41 1
NPC253410 C26H34O6 442.2355388 -1.3654 3.66 0.853 5 3 100.13 1 6 32 0
NPC259205 C29H38O7 498.2617536 1.7072 3.88 2.993 7 1 99.13 4 5 36 0
NPC26974 C29H60 408.4695019 -7.6734 4.65 16.841 0 0 0 28 0 29 2
NPC299856 C26H54O hexacosan-1-ol 382.4174663 -7.3094 4.21 13.369 1 1 20.23 24 0 27 2
NPC42264 C30H36O9 540.2359327 1.012 3.77 1.511 8 0 118.34 8 5 39 0
NPC53954 C32H42O7 538.2930537 3.1468 4.21 3.871 7 1 99.13 5 5 39 0
NPC9600 C26H34O7 458.2304534 -0.7182 3.55 0.526 6 3 109.36 3 6 33 0

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