32 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.



6 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC98661
Formula: C16H12O8

Ingredient ID: NPC93462
Formula: C32H52O2

Ingredient ID: NPC796
Formula: C24H22O14

Ingredient ID: NPC37250
Formula: C16H18O9

Ingredient ID: NPC37090
Formula: C30H48O

Ingredient ID: NPC311127
Formula: C20H28O6

Ingredient ID: NPC296904
Formula: C20H28O6

Ingredient ID: NPC291537
Formula: C30H50O

Ingredient ID: NPC285683
Formula: C20H26O8

Ingredient ID: NPC271628
Formula: C20H24O7

Ingredient ID: NPC266248
Formula: C20H28O7

Ingredient ID: NPC260343
Formula: C23H30O9

Ingredient ID: NPC260208
Formula: C20H26O8

Ingredient ID: NPC241498
Formula: C16H12O6

Ingredient ID: NPC207993
Formula: C20H22O7

Ingredient ID: NPC205128
Formula: C20H22O7

Ingredient ID: NPC204048
Formula: C23H30O9

Ingredient ID: NPC186157
Formula: C30H50O

Ingredient ID: NPC185025
Formula: C20H28O7

Ingredient ID: NPC184614
Formula: C20H22O6

Ingredient ID: NPC174046
Formula: C30H52O

Ingredient ID: NPC173972
Formula: C40H44O12

Ingredient ID: NPC170035
Formula: C16H18O9

Ingredient ID: NPC158061
Formula: C21H28O8

Ingredient ID: NPC153860
Formula: C20H28O6

Ingredient ID: NPC146566
Formula: C20H24O6

Ingredient ID: NPC137211
Formula: C20H24O7

Ingredient ID: NPC129088
Formula: C25H24O12

Ingredient ID: NPC122165
Formula: C24H22O14

Ingredient ID: NPC117069
Formula: C20H24O6

Ingredient ID: NPC116775
Formula: C15H10O6

Ingredient ID: NPC100887
Formula: C16H12O7

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC100887 C16H12O7 Eupafolin 316.06 -2.3966 2.45 0.589 1 4 116.45 7 3 23 0
NPC116775 C15H10O6 Kaempferol 286.05 -2.3409 2.45 1.915 2 4 107.22 5 3 21 0
NPC117069 C20H24O6 [(3R,3aR,4R,6S,6aR,9aR,9bR)-6-formyl-3,9-dimethyl-2,7-dioxo-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate 360.1572885 1.3426 3 1.289 6 0 86.74 4 3 26 0
NPC122165 C24H22O14 534.1009554 -3.1164 2.56 0.34 10 8 248.58 13 2 38 2
NPC129088 C25H24O12 516.1267762 -2.3865 2.89 1.085 8 7 211.28 9 3 37 1
NPC137211 C20H24O7 376.1522031 0.9725 2.89 0.934 7 1 99.13 3 4 27 0
NPC146566 C20H24O6 [(3R,3aR,4R,9aS,9bR)-6-(hydroxymethyl)-3,9-dimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate 360.1572885 1.1625 3 0.379 6 1 89.9 4 3 26 0
NPC153860 C20H28O6 [(3R,3aR,4R,6Z,9R,10Z,11aR)-9-hydroxy-6-(hydroxymethyl)-3,10-dimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate 364.1885886 1.6044 3 0.919 6 2 93.06 4 2 26 0
NPC158061 C21H28O8 Glaucolide L 408.18 0.6739 2.89 1.792 8 1 111.66 11 3 29 0
NPC170035 C16H18O9 (1R,3R,4S,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid 354.0950822 -2.1962 2.23 -0.447 7 6 164.75 5 2 25 1
NPC173972 C40H44O12 716.2832768 2.3701 4.54 1.91 12 1 168.8 8 7 52 1
NPC174046 C30H52O 428.4018163 2.3785 4.65 12.717 1 1 20.23 0 5 31 1
NPC184614 C20H22O6 [(3R,3aR,4R,9aS,9bR)-6-formyl-3,9-dimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate 358.1416384 1.4188 3 0.886 6 0 86.74 4 3 26 0
NPC185025 C20H28O7 380.1835032 0.9647 2.89 1.34 7 2 105.59 3 3 27 0
NPC186157 C30H50O 426.3861662 3.1625 4.65 11.751 1 1 20.23 0 5 31 1
NPC204048 C23H30O9 Glaucolide K 450.19 1.053 3 2.103 9 0 117.73 13 3 32 0
NPC205128 C20H22O7 374.136553 0.6346 2.89 -0.134 7 1 102.43 4 4 27 0
NPC207993 C20H22O7 (3R,3aR,4R,9aS,9bR)-3,9-dimethyl-4-[(E)-2-methylbut-2-enoyl]oxy-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-6-carboxylic acid 374.136553 1.3714 2.89 0.805 7 1 106.97 4 3 27 0
NPC241498 C16H12O6 Hispidulin 300.06 -1.9363 2.56 1.123 1 3 96.22 6 3 22 0
NPC260208 C20H26O8 394.1627678 -0.7243 2.78 0.459 8 2 118.12 4 5 28 0
NPC260343 C23H30O9 Glaucolide M 450.19 0.8686 3 2.094 9 1 125.43 14 2 32 0
NPC266248 C20H28O7 380.1835032 0.9647 2.89 1.34 7 2 105.59 3 3 27 0
NPC271628 C20H24O7 376.1522031 0.4175 2.89 -0.066 7 1 102.43 4 4 27 0
NPC285683 C20H26O8 394.1627678 -0.7243 2.78 0.459 8 2 118.12 4 5 28 0
NPC291537 C30H50O 426.3861662 2.3656 4.65 11.448 1 1 20.23 0 5 31 1
NPC296904 C20H28O6 364.1885886 1.731 3 1.675 6 1 85.36 3 3 26 0
NPC311127 C20H28O6 364.1885886 1.731 3 1.675 6 1 85.36 3 3 26 0
NPC37090 C30H48O 424.3705162 2.9353 4.65 10.841 1 0 17.07 0 5 31 1
NPC37250 C16H18O9 354.0950822 -2.1962 2.23 -0.447 7 6 164.75 11 2 25 1
NPC796 C24H22O14 534.1009554 -3.1164 2.56 0.34 10 8 248.58 13 2 38 2
NPC93462 C32H52O2 468.3967309 2.7447 4.76 12.188 2 0 26.3 2 5 34 1
NPC98661 C16H12O8 332.0532173 -2.853 2.34 0.937 2 5 136.68 8 3 24 0

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1. General Information & structure data (InChi, InChiKey, SMILES)  
2. Physico-chemical Properties