29 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: NPC92898
Formula: C36H58O6

Ingredient ID: NPC85708
Formula: C13H21NO3

Ingredient ID: NPC83938
Formula: C30H48O5

Ingredient ID: NPC71074
Formula: C30H48O4

Ingredient ID: NPC65905
Formula: C22H22O10

Ingredient ID: NPC61980
Formula: C40H44O22

Ingredient ID: NPC50898
Formula: C15H10O5

Ingredient ID: NPC38741
Formula: C25H24O12

Ingredient ID: NPC307176
Formula: C21H30O2

Ingredient ID: NPC304309
Formula: C28H48O

Ingredient ID: NPC301589
Formula: C30H48O7

Ingredient ID: NPC300351
Formula: C30H48O4

Ingredient ID: NPC292747
Formula: C18H27NO5

Ingredient ID: NPC289112
Formula: C20H32O

Ingredient ID: NPC284172
Formula: C20H32O3

Ingredient ID: NPC283766
Formula: C57H96O28

Ingredient ID: NPC282188
Formula: C20H32O3

Ingredient ID: NPC270383
Formula: C20H32O3

Ingredient ID: NPC263049
Formula: C20H32O3

Ingredient ID: NPC259950
Formula: C19H22O6

Ingredient ID: NPC231772
Formula: C16H12O5

Ingredient ID: NPC228834
Formula: C21H20O11

Ingredient ID: NPC222898
Formula: C30H48O6

Ingredient ID: NPC22140
Formula: C35H60O6

Ingredient ID: NPC189142
Formula: C21H20O11

Ingredient ID: NPC166190
Formula: C29H48O

Ingredient ID: NPC161171
Formula: C30H44O9

Ingredient ID: NPC159730
Formula: C30H46O9

Ingredient ID: NPC140255
Formula: C30H48O7

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC140255 C30H48O7 (1R,4aR,6aS,6aS,6bR,8aR,9R,10R,11R,12S,12aR,14bS)-1,10,11,12-tetrahydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 520.3400039 -0.5886 3.99 4.218 7 6 138.45 2 5 37 1
NPC159730 C30H46O9 3-[(3S,10R)-5,14-dihydroxy-3-[(2R,4S,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one 550.3141831 -2.178 3.77 1.725 9 4 134.91 5 6 39 0
NPC161171 C30H44O9 (3S,5S,8S,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde 548.298533 -1.9217 3.77 1.832 9 3 131.75 5 6 39 0
NPC166190 C29H48O (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-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
NPC189142 C21H20O11 Galuteolin 448.1 -4.0917 2.56 -0.075 6 7 186.37 11 4 32 1
NPC22140 C35H60O6 (2R,3R,4S,5S,6R)-2-[[(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-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 576.4389896 -0.4469 4.65 10.487 6 4 99.38 9 5 41 1
NPC222898 C30H48O6 (1R,4aR,6aS,6aS,6bR,8aS,10R,11S,12S,12aR,14bS)-1,10,11,12-tetrahydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 504.3450893 0.5021 4.1 4.921 6 5 118.22 1 5 36 0
NPC228834 C21H20O11 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 448.1005615 -4.0917 2.56 -0.075 6 7 186.37 4 4 32 1
NPC231772 C16H12O5 Acacetin 284.07 -1.476 2.67 2.086 1 2 75.99 5 3 21 0
NPC259950 C19H22O6 [(4S,6aR,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate 346.1416384 0.7485 2.89 -0.222 6 2 93.06 4 3 25 0
NPC263049 C20H32O3 320.2351449 0.3598 3.33 3.411 3 2 57.53 1 4 23 0
NPC270383 C20H32O3 320.2351449 -0.0824 3.33 5.163 3 2 57.53 1 2 23 1
NPC282188 C20H32O3 320.2351449 -0.0824 3.33 5.163 3 2 57.53 1 2 23 1
NPC283766 C57H96O28 1228.608812 -8.6602 4.65 0.164 28 17 445.44 18 10 85 3
NPC284172 C20H32O3 320.2351449 -0.0824 3.33 5.163 3 2 57.53 1 2 23 1
NPC289112 C20H32O 288.2453156 1.1799 3.55 7.173 1 1 20.23 0 4 21 1
NPC292747 C18H27NO5 [(1S,7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate 337.188923 0.4996 2.78 1.684 6 1 76.07 8 2 24 0
NPC300351 C30H48O4 472.35526 1.2611 4.32 8.142 4 3 77.76 11 5 34 1
NPC301589 C30H48O7 (1R,4aR,5S,6aS,6aS,6bR,8aS,10R,11S,12S,12aR,14bS)-1,5,10,11,12-pentahydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 520.3400039 -0.071 3.99 3.898 7 6 138.45 1 5 37 1
NPC304309 C28H48O 400.3705162 1.9762 4.43 11.026 1 1 20.23 12 4 29 1
NPC307176 C21H30O2 Progesterone 314.22 0.9172 3.55 4.826 2 0 34.14 4 4 23 0
NPC38741 C25H24O12 4-[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,5-dihydroxycyclohexane-1-carboxylic acid 516.1267762 -2.3865 2.89 1.085 8 7 211.28 9 3 37 1
NPC50898 C15H10O5 Apigenin 270.05 -1.8845 2.56 1.567 1 3 86.99 4 3 20 0
NPC61980 C40H44O22 [4-acetyloxy-6-(acetyloxymethyl)-2-[[(4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-5-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxyoxan-3-yl] 2,3-dihydroxybenzoate 876.232423 -4.5698 3.44 2.327 18 7 319.26 17 6 62 3
NPC65905 C22H22O10 446.1212969 -4.3685 2.78 0.019 5 7 177.14 3 4 32 1
NPC71074 C30H48O4 Corosolic Acid 472.36 1.2611 4.32 8.142 4 3 77.76 11 5 34 1
NPC83938 C30H48O5 (1R,4aR,6aS,6aS,6bR,8aS,10S,12R,12aR,14bS)-1,10,12-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 488.3501746 0.7248 4.21 5.093 5 4 97.99 1 5 35 1
NPC85708 C13H21NO3 [(1S,2R,8R)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (E)-2-methylbut-2-enoate 239.1521435 -0.1326 2.45 0.984 4 1 49.77 4 2 17 0
NPC92898 C36H58O6 586.4233396 -4.1511 4.76 9.868 6 3 104.06 17 4 42 2

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