22 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.



10 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC9251
Formula: C33H56O4

Ingredient ID: NPC88645
Formula: C15H12O5

Ingredient ID: NPC87125
Formula: C16H12O7

Ingredient ID: NPC85778
Formula: C30H48O3

Ingredient ID: NPC73468
Formula: C14H10O5

Ingredient ID: NPC70381
Formula: C24H20O8

Ingredient ID: NPC47844
Formula: C7H10O5

Ingredient ID: NPC43669
Formula: C13H8O5

Ingredient ID: NPC40782
Formula: C24H20O8

Ingredient ID: NPC279121
Formula: C15H10O6

Ingredient ID: NPC274881
Formula: C30H46O3

Ingredient ID: NPC258983
Formula: C38H78O

Ingredient ID: NPC243728
Formula: C35H60O6

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC20791
Formula: C15H10O7

Ingredient ID: NPC171809
Formula: C30H46O4

Ingredient ID: NPC169749
Formula: C15H10O8

Ingredient ID: NPC169479
Formula: C13H8O5

Ingredient ID: NPC126737
Formula: C26H22O9

Ingredient ID: NPC125062
Formula: C16H12O7

Ingredient ID: NPC116775
Formula: C15H10O6

Ingredient ID: NPC101078
Formula: C50H100O2

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC101078 C50H100O2 hexacosyl tetracosanoate 732.7723324 -12.9021 6.74 26.311 2 0 26.3 48 0 52 2
NPC116775 C15H10O6 Kaempferol 286.05 -2.3409 2.45 1.915 2 4 107.22 5 3 21 0
NPC125062 C16H12O7 Isorhamnetin 316.06 -2.3927 2.45 1.471 2 4 116.45 7 3 23 0
NPC126737 C26H22O9 478.1263823 -1.4604 3.33 3.145 3 1 109.75 6 5 35 0
NPC169479 C13H8O5 1,3,7-Trihydroxyxanthone 244.04 -1.7988 2.34 0.614 1 3 86.99 3 3 18 0
NPC169749 C15H10O8 Myricetin 318.04 -3.2615 2.23 0.847 2 6 147.68 7 3 23 1
NPC171809 C30H46O4 470.33961 1.007 4.32 6.072 4 2 66.76 0 6 34 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
NPC258983 C38H78O octatriacontan-1-ol 550.6052671 -10.7654 5.53 20.197 1 1 20.23 36 0 39 2
NPC274881 C30H46O3 454.3446953 1.5801 4.43 7.524 3 1 46.53 0 6 33 1
NPC279121 C15H10O6 Luteolin 286.05 -2.3448 2.45 1.033 1 4 107.22 5 3 21 0
NPC40782 C24H20O8 436.1158176 -1.8395 3.22 2.405 2 2 103.68 4 5 32 0
NPC43669 C13H8O5 3,4,5-Trihydroxyxanthen-9-One 244.04 -1.7988 2.34 1.043 1 3 86.99 3 3 18 0
NPC47844 C7H10O5 174.0528234 -1.4373 1.68 -1.094 5 4 97.99 5 1 12 0
NPC70381 C24H20O8 (2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-7-one 436.1158176 -1.8395 3.22 2.405 2 2 103.68 4 5 32 0
NPC73468 C14H10O5 1,3-dihydroxy-5-methoxyxanthen-9-one 258.0528234 -1.3903 2.45 1.133 1 2 75.99 1 3 19 0
NPC85778 C30H48O3 456.3603454 1.682 4.43 9.302 3 2 57.53 1 5 33 1
NPC87125 C16H12O7 Rhamnetin 316.06 -2.3927 2.45 1.9 2 4 116.45 7 3 23 0
NPC88645 C15H12O5 272.0684735 -0.9818 2.56 1.863 1 1 64.99 5 3 20 0
NPC9251 C33H56O4 tetracosyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 516.4178603 -6.9237 4.65 14.192 2 2 66.76 26 1 37 2

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