13 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: NPC81738
Formula: C26H32O11

Ingredient ID: NPC73995
Formula: C15H16O3

Ingredient ID: NPC38639
Formula: C48H82O3

Ingredient ID: NPC300776
Formula: C21H24O6

Ingredient ID: NPC282886
Formula: C21H34O8

Ingredient ID: NPC273367
Formula: C15H22O4

Ingredient ID: NPC251355
Formula: C10H8O4

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC20791
Formula: C15H10O7

Ingredient ID: NPC192638
Formula: C30H50O

Ingredient ID: NPC190362
Formula: C15H18O3

Ingredient ID: NPC176814
Formula: C21H24O6

Ingredient ID: NPC101830
Formula: C18H16O7

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC101830 C18H16O7 Penduletin 344.09 -1.9197 2.67 1.882 2 2 94.45 9 3 25 0
NPC176814 C21H24O6 Arctigenin 372.16 -0.5036 3.11 2.934 2 1 74.22 11 3 27 0
NPC190362 C15H18O3 246.1255944 0.8191 2.78 1.581 3 0 43.37 0 3 18 0
NPC192638 C30H50O Lupeol 426.39 3.2313 4.65 11.901 1 1 20.23 9 5 31 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
NPC251355 C10H8O4 192.0422587 -1.0899 2.12 0.7 1 1 55.76 1 2 14 0
NPC273367 C15H22O4 (4aS,8aS)-8a-methyl-5-methylidene-3-(1,2,3-trihydroxypropan-2-yl)-4a,6,7,8-tetrahydro-4H-naphthalen-1-one 266.1518092 -0.9297 2.67 -0.832 4 3 77.76 3 2 19 0
NPC282886 C21H34O8 414.225368 -1.9467 2.89 1.591 8 4 125.68 3 4 29 0
NPC300776 C21H24O6 (3S,4S)-4-[(3,4-Dimethoxyphenyl)Methyl]-3-[(4-Hydroxy-3-Methoxyphenyl)Methyl]Oxolan-2-One 372.16 -0.5036 3.11 2.934 2 1 74.22 11 3 27 0
NPC38639 C48H82O3 [(1R,3S,4aS,6aS,6bR,8aR,11R,12S,12aR,14bS)-1-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a-dodecahydro-1H-picen-3-yl] octadecanoate 706.6263965 -1.7315 6.41 17.922 3 1 46.53 18 5 51 2
NPC73995 C15H16O3 Encelin 244.11 0.9396 2.78 1.359 3 0 43.37 1 3 18 0
NPC81738 C26H32O11 (3R,4R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one 520.1944618 -2.659 3.11 1.307 7 5 164.37 9 4 37 0

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