28 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.



7 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC99968
Formula: C19H18O5

Ingredient ID: NPC94256
Formula: C25H38O14

Ingredient ID: NPC66130
Formula: C32H42O14

Ingredient ID: NPC61604
Formula: C26H32O11

Ingredient ID: NPC51700
Formula: C30H48O3

Ingredient ID: NPC309987
Formula: C27H34O11

Ingredient ID: NPC306675
Formula: C32H42O14

Ingredient ID: NPC28913
Formula: C17H24O9

Ingredient ID: NPC287429
Formula: C20H28O10

Ingredient ID: NPC286099
Formula: C46H80O2

Ingredient ID: NPC254607
Formula: C23H36O12

Ingredient ID: NPC245853
Formula: C15H18O8

Ingredient ID: NPC245615
Formula: C26H32O11

Ingredient ID: NPC243728
Formula: C35H60O6

Ingredient ID: NPC243702
Formula: C9H8O3

Ingredient ID: NPC236709
Formula: C4H6O4

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC202062
Formula: C30H36O14

Ingredient ID: NPC195334
Formula: C32H52O2

Ingredient ID: NPC1896
Formula: C19H26O10

Ingredient ID: NPC186316
Formula: C26H28O12

Ingredient ID: NPC175313
Formula: C9H10O

Ingredient ID: NPC158635
Formula: C27H34O11

Ingredient ID: NPC135370
Formula: C25H28O10

Ingredient ID: NPC13318
Formula: C32H42O14

Ingredient ID: NPC129206
Formula: C30H50O

Ingredient ID: NPC115466
Formula: C26H32O11

Ingredient ID: NPC109955
Formula: C9H10O2

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC109955 C9H10O2 Hydroxychavicol 150.07 0.1081 2.23 2.394 0 2 40.46 4 1 11 0
NPC115466 C26H32O11 520.1944618 -2.659 3.11 1.307 11 5 164.37 16 4 37 0
NPC129206 C30H50O (3S,4aS,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol 426.3861662 3.4636 4.65 11.352 1 1 20.23 0 5 31 1
NPC13318 C32H42O14 [(1S,4aS,7R,7aS)-7-(acetyloxymethyl)-7-hydroxy-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate 650.257456 -2.3237 3.44 2.236 13 5 207.74 15 4 46 2
NPC135370 C25H28O10 488.1682471 -2.9298 3.11 1.967 10 4 140.21 13 5 35 0
NPC158635 C27H34O11 534.2101119 -2.2505 3.22 1.826 11 4 153.37 17 4 38 0
NPC175313 C9H10O 134.0731649 0.5684 2.34 3.139 0 1 20.23 3 1 10 0
NPC186316 C26H28O12 532.1580763 -3.3469 3 0.711 12 4 162.6 11 6 38 0
NPC1896 C19H26O10 414.152597 -2.9084 2.45 0.491 9 6 158.3 7 3 29 1
NPC195334 C32H52O2 Beta-Amyrin Acetate 468.4 3.3907 4.76 12.286 2 0 26.3 11 5 34 1
NPC202062 C30H36O14 (2R,3R,4S,5S,6R)-2-[3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol 620.2105058 -4.166 3.22 0.673 10 6 199.13 10 6 44 1
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC236709 C4H6O4 Succinic Acid 118.03 -0.41 1.46 -0.71 4 2 74.6 5 0 8 0
NPC243702 C9H8O3 3-(4-hydroxyphenyl)prop-2-enoic acid 164.0473441 -0.339 2.12 1.886 2 2 57.53 2 1 12 0
NPC243728 C35H60O6 Daucosterol 576.44 -0.4469 4.65 10.487 6 4 99.38 19 5 41 1
NPC245615 C26H32O11 520.1944618 -2.659 3.11 1.307 11 5 164.37 16 4 37 0
NPC245853 C15H18O8 3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid 326.1001675 -2.0859 2.23 0.778 7 5 136.68 5 2 23 0
NPC254607 C23H36O12 [(1S,4aS,7R,7aS)-7-(acetyloxymethyl)-7-hydroxy-4-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate 504.2206766 -2.5937 2.67 -0.041 12 5 181.44 11 3 35 2
NPC286099 C46H80O2 [(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] hexadecanoate 664.6158318 -0.9231 6.3 19.838 2 0 26.3 16 5 48 2
NPC287429 C20H28O10 428.1682471 -2.5872 2.56 0.694 10 6 158.3 14 3 30 1
NPC28913 C17H24O9 (3S,4R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol 372.1420323 -2.2917 2.34 -0.417 6 5 138.07 7 2 26 0
NPC306675 C32H42O14 650.257456 -2.3237 3.44 2.236 13 5 207.74 15 4 46 2
NPC309987 C27H34O11 (3R,4R)-3-[(3,4-dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one 534.2101119 -2.2505 3.22 1.826 7 4 153.37 10 4 38 0
NPC51700 C30H48O3 Ursolic Acid 456.36 1.4838 4.43 8.954 3 2 57.53 10 5 33 1
NPC61604 C26H32O11 520.1944618 -2.659 3.11 1.307 11 5 164.37 16 4 37 0
NPC66130 C32H42O14 [(1S,4aS,7R,7aS)-7-(acetyloxymethyl)-7-hydroxy-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate 650.257456 -2.3237 3.44 2.236 13 5 207.74 15 4 46 2
NPC94256 C25H38O14 [(1S,4aS,6S,7R,7aS)-6-acetyloxy-7-(acetyloxymethyl)-7-hydroxy-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate 562.2261559 -2.9809 2.67 -0.331 14 5 207.74 13 3 39 2
NPC99968 C19H18O5 Egonol 326.12 -1.1829 3 3.075 1 1 61.06 7 4 24 0

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