20 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: NPC98179
Formula: C14H14O4

Ingredient ID: NPC89591
Formula: C17H16O5

Ingredient ID: NPC243509
Formula: C16H14O4

Ingredient ID: NPC235260
Formula: C21H18O13

Ingredient ID: NPC234536
Formula: C13H10O5

Ingredient ID: NPC222674
Formula: C21H18O15S

Ingredient ID: NPC219876
Formula: C15H14O6

Ingredient ID: NPC217903
Formula: C19H19NO5

Ingredient ID: NPC210094
Formula: C21H18O12

Ingredient ID: NPC20791
Formula: C15H10O7

Ingredient ID: NPC204867
Formula: C14H11NO2

Ingredient ID: NPC198324
Formula: C22H20O12

Ingredient ID: NPC198160
Formula: C19H17NO3

Ingredient ID: NPC179037
Formula: C17H18O7

Ingredient ID: NPC175107
Formula: C22H20O13

Ingredient ID: NPC162194
Formula: C20H19NO7

Ingredient ID: NPC135277
Formula: C21H18O13

Ingredient ID: NPC126029
Formula: C15H14O6

Ingredient ID: NPC116775
Formula: C15H10O6

Ingredient ID: NPC107987
Formula: C21H18O16S

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC107987 C21H18O16S 558.0315555 -4.4986 1.9 -2.178 10 8 275.42 14 4 38 1
NPC116775 C15H10O6 Kaempferol 286.05 -2.3409 2.45 1.915 2 4 107.22 5 3 21 0
NPC126029 C15H14O6 (-)-Epicatechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC135277 C21H18O13 478.0747406 -4.4498 2.34 -0.881 13 8 223.67 12 4 34 1
NPC162194 C20H19NO7 methyl 2,3-dihydroxy-2-(5-hydroxy-11-methyl-6-oxo-1,2-dihydrofuro[2,3-c]acridin-2-yl)propanoate 385.1161519 -1.9334 2.78 0.299 6 3 116.53 4 4 28 0
NPC175107 C22H20O13 Quercetin 3-O-Beta-D-Glucuronide 6''-Methyl Ester 492.09 -4.5389 2.45 0.124 8 7 212.67 13 4 35 1
NPC179037 C17H18O7 9-[(2S)-2,3-dihydroxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one 334.1052529 -0.4553 2.56 0.742 3 2 98.36 5 3 24 0
NPC198160 C19H17NO3 Rutacridone 307.12 0.4032 3.11 2.756 2 1 49.77 4 4 23 0
NPC198324 C22H20O12 476.0954761 -3.7385 2.56 -0.026 12 6 192.44 12 4 34 1
NPC204867 C14H11NO2 1-Hydroxy-10-Methylacridin-9-One 225.08 -0.6086 2.67 2.794 2 1 40.54 2 3 17 0
NPC20791 C15H10O7 Quercetin 302.04 -2.8012 2.34 1.381 2 5 127.45 6 3 22 0
NPC210094 C21H18O12 462.079826 -3.9895 2.45 -0.347 12 7 203.44 11 4 33 1
NPC217903 C19H19NO5 Gravacridondiol 341.13 -1.5051 2.89 1.26 4 3 90.23 7 4 25 0
NPC219876 C15H14O6 Cianidanol 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC222674 C21H18O15S 542.0366409 -4.0383 2.01 -1.644 10 7 255.19 13 4 37 1
NPC234536 C13H10O5 Isopimpinellin 246.05 0.0123 2.34 1.246 1 0 57.9 4 3 18 0
NPC235260 C21H18O13 Quercetin Glucuronide 478.07 -4.7899 2.34 -0.197 8 8 223.67 12 4 34 1
NPC243509 C16H14O4 Pentosalen 270.09 1.5296 2.78 2.891 1 0 48.67 5 3 20 0
NPC89591 C17H16O5 9-methoxy-5-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one 300.0997736 1.031 2.78 2.798 2 0 57.9 4 3 22 0
NPC98179 C14H14O4 246.0892089 0.2617 2.56 2.093 2 1 55.76 4 3 18 0

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