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.



8 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC92869
Formula: C12H14O4

Ingredient ID: NPC88445
Formula: C16H14O4

Ingredient ID: NPC84654
Formula: C26H28O15

Ingredient ID: NPC72335
Formula: C29H30O17

Ingredient ID: NPC67450
Formula: C17H16O5

Ingredient ID: NPC52005
Formula: C16H12O6

Ingredient ID: NPC39426
Formula: C15H10O5

Ingredient ID: NPC296985
Formula: C26H28O15

Ingredient ID: NPC293023
Formula: C20H30O4

Ingredient ID: NPC264784
Formula: C18H26O10

Ingredient ID: NPC22832
Formula: C22H22O11

Ingredient ID: NPC210003
Formula: C21H20O10

Ingredient ID: NPC191347
Formula: C26H28O14

Ingredient ID: NPC163297
Formula: C19H36O2

Ingredient ID: NPC149540
Formula: C10H14O2

Ingredient ID: NPC146522
Formula: C10H14

Ingredient ID: NPC134730
Formula: C28H30O15

Ingredient ID: NPC133671
Formula: C21H20O11

Ingredient ID: NPC131070
Formula: C20H32O3

Ingredient ID: NPC122809
Formula: C26H28O14

Ingredient ID: NPC119949
Formula: C11H12O3

Ingredient ID: NPC108218
Formula: C8H10O

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC108218 C8H10O 122.0731649 -0.1931 2.23 3.189 1 1 20.23 3 1 9 0
NPC119949 C11H12O3 Elemicin 192.08 0.6742 2.34 2.486 0 0 27.69 4 2 14 0
NPC122809 C26H28O14 Apiin 564.15 -5.0401 2.78 -0.878 10 8 225.06 15 5 40 1
NPC131070 C20H32O3 320.2351449 1.934 3.33 4.72 3 1 46.53 4 2 23 0
NPC133671 C21H20O11 Astragalin 448.1 -4.4318 2.56 0.18 7 7 186.37 11 4 32 1
NPC134730 C28H30O15 [(2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate 606.1584703 -4.661 2.89 -0.567 11 7 231.13 9 5 43 2
NPC146522 C10H14 1-methyl-4-prop-1-en-2-ylcyclohexa-1,3-diene 134.1095504 2.4651 2.56 3.47 0 0 0 1 1 10 0
NPC149540 C10H14O2 166.0993797 1.1258 2.34 0.7 2 0 25.06 1 3 12 0
NPC163297 C19H36O2 methyl (Z)-octadec-6-enoate 296.2715304 -2.0917 3.33 8.513 2 0 26.3 16 0 21 2
NPC191347 C26H28O14 564.1479056 -5.0401 2.78 -0.878 10 8 225.06 7 5 40 1
NPC210003 C21H20O10 Apigetrin 432.11 -3.6314 2.67 0.459 6 6 166.14 10 4 31 1
NPC22832 C22H22O11 462.1162115 -3.6832 2.67 0.015 11 6 175.37 12 4 33 1
NPC264784 C18H26O10 402.152597 -3.6043 2.34 -0.036 10 6 158.3 13 3 28 1
NPC293023 C20H30O4 334.2144094 2.0602 3.22 2.648 4 1 63.6 4 2 24 0
NPC296985 C26H28O15 7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one 580.1428202 -5.5004 2.67 -1.412 10 9 245.29 7 5 41 1
NPC39426 C15H10O5 Genistein 270.05 -2.0476 2.56 1.512 1 3 86.99 4 3 20 0
NPC52005 C16H12O6 Diosmetin 300.06 -1.9363 2.56 1.123 1 3 96.22 6 3 22 0
NPC67450 C17H16O5 300.0997736 1.4778 2.78 2.447 1 0 57.9 7 3 22 0
NPC72335 C29H30O17 3-[[(2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid 650.1482995 -4.8759 2.78 -0.786 13 8 268.43 11 5 46 3
NPC84654 C26H28O15 580.1428202 -5.5004 2.67 -1.412 10 9 245.29 7 5 41 1
NPC88445 C16H14O4 Isoimperatorin 270.09 1.5296 2.78 2.891 1 0 48.67 5 3 20 0
NPC92869 C12H14O4 Apiol 222.09 0.6224 2.34 1.831 0 0 36.92 6 2 16 0

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