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.



11 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC6788
Formula: C31H50O4

Ingredient ID: NPC53161
Formula: C18H13NO4

Ingredient ID: NPC51700
Formula: C30H48O3

Ingredient ID: NPC43312
Formula: C12H14O8

Ingredient ID: NPC299856
Formula: C26H54O

Ingredient ID: NPC290495
Formula: C32H52O2

Ingredient ID: NPC27765
Formula: C30H50O

Ingredient ID: NPC272068
Formula: C27H30O15

Ingredient ID: NPC264317
Formula: C30H48O3

Ingredient ID: NPC243728
Formula: C35H60O6

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC20791
Formula: C15H10O7

Ingredient ID: NPC179950
Formula: C21H20O12

Ingredient ID: NPC176740
Formula: C27H30O16

Ingredient ID: NPC156654
Formula: C7H6O4

Ingredient ID: NPC147883
Formula: C32H50O3

Ingredient ID: NPC142754
Formula: C30H48O

Ingredient ID: NPC113733
Formula: C29H48O

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC113733 C29H48O Stigmasterol 412.37 1.2566 4.54 11.071 1 1 20.23 12 4 30 1
NPC142754 C30H48O Beta-Amyrone 424.37 3.5813 4.65 10.939 1 0 17.07 8 5 31 1
NPC147883 C32H50O3 [(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-9-oxo-1,2,3,4a,5,6,6a,7,8,12,12a,13,14,14a-tetradecahydropicen-3-yl] acetate 482.3759955 2.8499 4.65 9.779 3 0 43.37 2 5 35 1
NPC156654 C7H6O4 Protocatechuic Acid 154.03 -1.1604 1.79 0.536 2 3 77.76 4 1 11 0
NPC176740 C27H30O16 Rutin 610.15 -6.139 2.67 -1.188 11 10 265.52 17 5 43 2
NPC179950 C21H20O12 Isoquercetin 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
NPC20791 C15H10O7 Quercetin 302.04 -2.8012 2.34 1.381 2 5 127.45 6 3 22 0
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC243728 C35H60O6 Daucosterol 576.44 -0.4469 4.65 10.487 6 4 99.38 19 5 41 1
NPC264317 C30H48O3 Betulinic Acid 456.36 2.3495 4.43 9.407 3 2 57.53 10 5 33 1
NPC272068 C27H30O15 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 594.1584703 -5.6787 2.78 -0.654 11 9 245.29 6 5 42 2
NPC27765 C30H50O Alpha-Amyrin 426.39 2.3656 4.65 11.448 1 1 20.23 9 5 31 1
NPC290495 C32H52O2 468.3967309 2.7447 4.76 12.188 2 0 26.3 11 5 34 1
NPC299856 C26H54O hexacosan-1-ol 382.4174663 -7.3094 4.21 13.369 1 1 20.23 24 0 27 2
NPC43312 C12H14O8 286.0688674 -2.3966 1.9 -0.758 6 5 136.68 3 2 20 0
NPC51700 C30H48O3 Ursolic Acid 456.36 1.4838 4.43 8.954 3 2 57.53 10 5 33 1
NPC53161 C18H13NO4 5-(1,3-benzodioxol-5-ylmethyl)-[1,3]dioxolo[4,5-g]isoquinoline 307.0844579 -0.2842 2.89 3.217 1 0 49.81 2 5 23 0
NPC6788 C31H50O4 methyl (1R,3aS,5aR,5bR,7aR,9S,10R,11aR,11bR,13aR,13bR)-9,10-dihydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate 486.3709101 2.3778 4.43 8.916 4 2 66.76 3 5 35 1

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