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.



9 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC77249
Formula: C30H62

Ingredient ID: NPC65786
Formula: C15H24O

Ingredient ID: NPC43094
Formula: C23H24O12

Ingredient ID: NPC311830
Formula: C22H22O11

Ingredient ID: NPC299856
Formula: C26H54O

Ingredient ID: NPC29353
Formula: C17H14O5

Ingredient ID: NPC292833
Formula: C27H28O14

Ingredient ID: NPC286667
Formula: C28H32O18

Ingredient ID: NPC278680
Formula: C30H26O12

Ingredient ID: NPC270675
Formula: C30H26O12

Ingredient ID: NPC265442
Formula: C12H16O8

Ingredient ID: NPC254208
Formula: C6H12O6

Ingredient ID: NPC252918
Formula: C7H14O6

Ingredient ID: NPC247586
Formula: C12H18O2

Ingredient ID: NPC245853
Formula: C15H18O8

Ingredient ID: NPC243083
Formula: C15H12O4

Ingredient ID: NPC231772
Formula: C16H12O5

Ingredient ID: NPC230789
Formula: C7H14O6

Ingredient ID: NPC214585
Formula: C27H30O15

Ingredient ID: NPC214168
Formula: C12H17NO7

Ingredient ID: NPC210003
Formula: C21H20O10

Ingredient ID: NPC201806
Formula: C15H22O2

Ingredient ID: NPC195685
Formula: C30H26O12

Ingredient ID: NPC180407
Formula: C27H30O15

Ingredient ID: NPC157699
Formula: C29H34O18

Ingredient ID: NPC156869
Formula: C27H30O17

Ingredient ID: NPC156851
Formula: C30H26O12

Ingredient ID: NPC146713
Formula: C6H12O5

Ingredient ID: NPC142319
Formula: C12H16O7

Ingredient ID: NPC140154
Formula: C27H30O14

Ingredient ID: NPC137062
Formula: C17H14O6

Ingredient ID: NPC130683
Formula: C12H22O11

Ingredient ID: NPC123965
Formula: C30H50

Ingredient ID: NPC115289
Formula: C18H12O8

Ingredient ID: NPC113101
Formula: C6H12O6

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC113101 C6H12O6 (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one 180.0633881 -3.0134 1.46 -3.839 6 5 118.22 5 0 12 0
NPC115289 C18H12O8 (E)-3-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]prop-2-enoic acid 356.0532173 -2.2235 2.56 0.875 3 5 144.52 3 3 26 0
NPC123965 C30H50 410.3912516 8.5524 4.76 11.482 0 0 0 23 0 30 2
NPC130683 C12H22O11 342.1162115 -4.3105 1.57 -3.277 11 8 189.53 13 2 23 2
NPC137062 C17H14O6 314.0790382 -1.5278 2.67 1.642 1 2 85.22 7 3 23 0
NPC140154 C27H30O14 8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 578.1635556 -5.3671 2.89 -1.342 10 9 236.06 5 5 41 1
NPC142319 C12H16O7 Arbutin 272.09 -2.6675 2.01 -0.238 5 5 119.61 8 2 19 0
NPC146713 C6H12O5 (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanal 164.0684735 -2.2906 1.57 -2.193 5 4 97.99 4 0 11 0
NPC156851 C30H26O12 [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-2-(hydroxymethyl)oxan-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate 578.1424263 -3.3614 3.44 2.307 7 6 192.44 8 5 42 1
NPC156869 C27H30O17 Quercetin 3-O-Beta-D-Glucopyranosyl-4-O-Beta-D-Glucopyranoside 626.15 -6.639 2.56 -1.891 12 11 285.75 18 5 44 2
NPC157699 C29H34O18 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one 670.1745142 -6.2823 2.67 -2.245 12 10 283.98 9 5 47 2
NPC180407 C27H30O15 594.1584703 -5.2989 2.78 -1.169 9 9 245.29 5 5 42 1
NPC195685 C30H26O12 Cosmosiin 6''-(Z)-P-Coumarate 578.14 -3.3614 3.44 2.736 7 6 192.44 14 5 42 1
NPC201806 C15H22O2 (4aS,5S)-3-(2-hydroxypropan-2-yl)-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one 234.1619799 0.7433 2.89 3.662 2 1 37.3 1 2 17 0
NPC210003 C21H20O10 Apigetrin 432.11 -3.6314 2.67 0.459 6 6 166.14 10 4 31 1
NPC214168 C12H17NO7 (1R,4R)-4-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile 287.1005019 -2.2447 1.9 -2.016 8 5 143.4 3 2 20 0
NPC214585 C27H30O15 594.1584703 -5.8274 2.78 -1.876 10 10 256.29 5 5 42 1
NPC230789 C7H14O6 194.0790382 -2.1551 1.57 -1.65 6 4 99.38 8 1 13 0
NPC231772 C16H12O5 Acacetin 284.07 -1.476 2.67 2.086 1 2 75.99 5 3 21 0
NPC243083 C15H12O4 Pinocembrin 256.07 -1.3541 2.67 2.493 1 2 66.76 3 3 19 0
NPC245853 C15H18O8 3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid 326.1001675 -2.0859 2.23 0.778 7 5 136.68 5 2 23 0
NPC247586 C12H18O2 194.1306798 -0.0046 2.56 0.979 2 1 37.3 3 2 14 0
NPC252918 C7H14O6 194.0790382 -2.1551 1.57 -1.65 6 4 99.38 8 1 13 0
NPC254208 C6H12O6 (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal 180.0633881 -2.7906 1.46 -3.325 6 5 118.22 5 0 12 0
NPC265442 C12H16O8 2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one 288.0845175 -2.7713 1.9 -0.828 8 4 125.68 3 2 20 0
NPC270675 C30H26O12 Cosmosiin 6''-(E)-P-Coumarate 578.14 -3.3614 3.44 2.736 7 6 192.44 14 5 42 1
NPC278680 C30H26O12 [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate 578.1424263 -3.3614 3.44 2.307 7 6 192.44 8 5 42 1
NPC286667 C28H32O18 2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one 656.1588642 -6.6908 2.56 -2.335 12 11 294.98 8 5 46 2
NPC292833 C27H28O14 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3S,5R,6R)-5-hydroxy-6-methyl-4-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]chromen-4-one 576.1479056 -5.2939 2.89 -1.05 9 8 232.9 4 5 41 1
NPC29353 C17H14O5 298.0841235 -1.0675 2.78 2.605 1 1 64.99 6 3 22 0
NPC299856 C26H54O hexacosan-1-ol 382.4174663 -7.3094 4.21 13.369 1 1 20.23 24 0 27 2
NPC311830 C22H22O11 7-O-Beta-D-Glucopyranoside 462.12 -3.6832 2.67 0.015 6 6 175.37 12 4 33 1
NPC43094 C23H24O12 5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 492.1267762 -3.735 2.67 -0.429 6 6 184.6 6 4 35 1
NPC65786 C15H24O 220.1827154 1.9144 3 4.607 1 0 12.53 3 3 16 0
NPC77249 C30H62 Triacontane 422.49 -7.9614 4.76 17.41 0 0 0 29 0 30 2

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