35 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.



8 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC99717
Formula: C15H14O7

Ingredient ID: NPC68492
Formula: C41H28O26

Ingredient ID: NPC67037
Formula: C20H18O11

Ingredient ID: NPC305074
Formula: C26H30N2O8

Ingredient ID: NPC299008
Formula: C5H10O5

Ingredient ID: NPC295996
Formula: C6H10O5

Ingredient ID: NPC290294
Formula: C21H20O11

Ingredient ID: NPC281457
Formula: C40H56O2

Ingredient ID: NPC278620
Formula: C30H48O5

Ingredient ID: NPC277983
Formula: C9H18O8

Ingredient ID: NPC26536
Formula: C41H26O26

Ingredient ID: NPC261411
Formula: C41H30O26

Ingredient ID: NPC261228
Formula: C15H26O

Ingredient ID: NPC257124
Formula: C10H12O2

Ingredient ID: NPC233326
Formula: C32H50O6

Ingredient ID: NPC231063
Formula: C30H48O5

Ingredient ID: NPC225710
Formula: C7H6O5

Ingredient ID: NPC217781
Formula: C41H28O26

Ingredient ID: NPC21209
Formula: C6H12O6

Ingredient ID: NPC204759
Formula: C20H18O11

Ingredient ID: NPC202967
Formula: C7H6N2O2

Ingredient ID: NPC200872
Formula: C34H26O22

Ingredient ID: NPC173365
Formula: C15H14O8

Ingredient ID: NPC167283
Formula: C9H18O8

Ingredient ID: NPC162169
Formula: C34H24O22

Ingredient ID: NPC151447
Formula: C26H26O18

Ingredient ID: NPC149691
Formula: C15H14O4

Ingredient ID: NPC149591
Formula: C5H13NO4S

Ingredient ID: NPC148756
Formula: C27H30O16

Ingredient ID: NPC14144
Formula: C7H14O6

Ingredient ID: NPC133149
Formula: C39H54O7

Ingredient ID: NPC121372
Formula: C27H22O18

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC121372 C27H22O18 634.0806139 -5.5485 2.45 -1.35 9 11 310.66 3 5 45 1
NPC133149 C39H54O7 (1S,2R,4aS,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-10,11-dihydroxy-9-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid 634.3869541 0.4404 4.98 9.716 6 4 124.29 6 6 46 1
NPC14144 C7H14O6 194.0790382 -2.1049 1.57 -1.607 6 4 99.38 7 1 13 0
NPC148756 C27H30O16 3-[(2S,3R,4R,5S,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one 610.1533849 -6.139 2.67 -1.188 11 10 265.52 6 5 43 2
NPC149591 C5H13NO4S hydron;2-(trimethylazaniumyl)ethyl sulfate 184.0643539 1.35 4 0 60.44 4 0 11 0
NPC149691 C15H14O4 258.0892089 0.6961 2.67 3.344 4 0 52.6 3 3 19 0
NPC151447 C26H26O18 626.111914 -5.5172 2.34 -3.12 12 10 291.82 6 6 44 2
NPC162169 C34H24O22 Casuariin 784.08 -7.049 2.78 -2.756 10 14 388.42 15 6 56 1
NPC167283 C9H18O8 (2S,3R,4S,5R,6R)-2-(1,3-dihydroxypropan-2-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol 254.1001675 -3.155 1.57 -2.988 8 6 139.84 5 1 17 1
NPC173365 C15H14O8 (2S,3S,4R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol 322.0688674 -3.5274 2.23 -0.729 2 7 150.84 1 3 23 1
NPC200872 C34H26O22 786.0915725 -6.8374 2.78 -0.869 10 13 385.26 9 5 56 1
NPC202967 C7H6N2O2 4-methoxy-2-oxo-1H-pyridine-3-carbonitrile 150.0429274 -0.4774 1.79 -0.159 2 1 66.14 1 1 11 0
NPC204759 C20H18O11 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one 434.0849114 -4.3814 2.45 -0.111 6 7 186.37 3 4 31 1
NPC21209 C6H12O6 180.0633881 -2.5134 1.46 -1.697 6 5 110.38 6 1 12 0
NPC217781 C41H28O26 Casuarinin 936.09 -8.0607 3.11 -1.934 11 16 455.18 20 7 67 2
NPC225710 C7H6O5 Gallic Acid 170.02 -1.6207 1.68 0.002 2 4 97.99 5 1 12 0
NPC231063 C30H48O5 Arjunolic Acid 488.35 0.8164 4.21 7.537 5 4 97.99 12 5 35 1
NPC233326 C32H50O6 (1R,2S,4aR,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-2-acetyloxy-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 530.3607393 1.2011 4.32 6.917 6 3 104.06 3 5 38 1
NPC257124 C10H12O2 Eugenol 164.08 0.5166 2.34 2.484 0 1 29.46 5 1 12 0
NPC261228 C15H26O 2-[(5R)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol 222.1983655 1.3215 3 4.027 1 1 20.23 1 2 16 0
NPC261411 C41H30O26 Tellimagrandin Ii 938.1 -7.5719 3.11 -0.135 11 15 444.18 24 7 67 2
NPC26536 C41H26O26 Castalagin 934.07 -8.0607 3.11 -2.766 11 16 455.18 16 8 67 2
NPC277983 C9H18O8 (2S,3R,4S,5R,6R)-2-[(2S)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 254.1001675 -3.155 1.57 -2.988 8 6 139.84 5 1 17 1
NPC278620 C30H48O5 (4aS,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 488.3501746 0.8164 4.21 7.537 5 4 97.99 2 5 35 1
NPC281457 C40H56O2 (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol 568.428031 8.6213 5.64 11.283 2 2 40.46 10 2 42 1
NPC290294 C21H20O11 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one 448.1005615 -3.9729 2.56 0.408 6 6 175.37 5 4 32 1
NPC295996 C6H10O5 (1R,3S,4R,5S,8S)-2,6-dioxabicyclo[3.2.1]octane-3,4,8-triol 162.0528234 -1.7469 1.57 -1.966 5 3 79.15 0 2 11 0
NPC299008 C5H10O5 (2S,3R,4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol 150.0528234 -2.0027 1.46 -1.454 5 4 90.15 1 1 10 0
NPC305074 C26H30N2O8 498.2002159 -3.1904 3.22 0.721 10 5 144.71 4 6 36 0
NPC67037 C20H18O11 Avicularin 434.08 -4.3814 2.45 -0.111 6 7 186.37 11 4 31 1
NPC68492 C41H28O26 936.086881 -7.5719 3.11 -0.967 11 15 444.18 3 8 67 2
NPC99717 C15H14O7 (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol 306.0739528 -3.0671 2.34 -0.195 2 6 130.61 1 3 22 1

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