25 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: NPC80040
Formula: C20H30O2

Ingredient ID: NPC73942
Formula: C20H30O

Ingredient ID: NPC61904
Formula: C28H24O15

Ingredient ID: NPC61126
Formula: C20H30O2

Ingredient ID: NPC60709
Formula: C41H28O27

Ingredient ID: NPC53777
Formula: C19H29NO7

Ingredient ID: NPC52086
Formula: C11H10O5

Ingredient ID: NPC48935
Formula: C20H30O2

Ingredient ID: NPC45667
Formula: C20H30O2

Ingredient ID: NPC301000
Formula: C21H32O3

Ingredient ID: NPC264145
Formula: C8H8O5

Ingredient ID: NPC239943
Formula: C14H14O9

Ingredient ID: NPC235392
Formula: C20H30O2

Ingredient ID: NPC233962
Formula: C32H40O9

Ingredient ID: NPC225710
Formula: C7H6O5

Ingredient ID: NPC215210
Formula: C20H30O6

Ingredient ID: NPC2055
Formula: C20H30O4

Ingredient ID: NPC190371
Formula: C20H30O2

Ingredient ID: NPC146886
Formula: C28H46O4

Ingredient ID: NPC144204
Formula: C20H30O3

Ingredient ID: NPC14030
Formula: C27H22O18

Ingredient ID: NPC136651
Formula: C22H32O7

Ingredient ID: NPC125911
Formula: C16H10O8

Ingredient ID: NPC113836
Formula: C28H24O16

Ingredient ID: NPC110146
Formula: C20H30O2

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC110146 C20H30O2 302.2245802 3.5638 3.44 6.366 2 1 37.3 1 2 22 1
NPC113836 C28H24O16 Isoquercitin 2''-O-Gallate 616.11 -5.9038 2.78 0.039 8 10 273.36 17 5 44 1
NPC125911 C16H10O8 330.0375673 -1.3929 2.34 0.337 3 2 115.43 2 4 24 0
NPC136651 C22H32O7 408.2148034 -0.401 3.11 0.477 7 3 116.59 2 4 29 0
NPC14030 C27H22O18 Corilagin 634.08 -5.5485 2.45 -1.779 9 11 310.66 14 5 45 1
NPC144204 C20H30O3 318.2194948 1.7236 3.33 4.253 3 1 49.83 1 3 23 0
NPC146886 C28H46O4 446.33961 -4.7872 4.1 10.868 2 1 55.76 24 1 32 2
NPC190371 C20H30O2 (1R,4E,8E,11S,12Z,14R)-11-hydroxy-4,8,15,15-tetramethylbicyclo[12.1.0]pentadeca-4,8,12-triene-12-carbaldehyde 302.2245802 3.0381 3.44 5.69 2 1 37.3 1 2 22 1
NPC2055 C20H30O4 334.2144094 1.6762 3.22 4.172 4 2 70.06 1 3 24 0
NPC215210 C20H30O6 366.2042387 -0.7801 3 -0.263 6 4 110.52 0 4 26 0
NPC225710 C7H6O5 Gallic Acid 170.02 -1.6207 1.68 0.002 2 4 97.99 5 1 12 0
NPC233962 C32H40O9 568.2672329 0.7558 3.99 4.793 9 0 117.73 8 5 41 0
NPC235392 C20H30O2 (1R,4E,8E,11R,12E,14R)-11-hydroxy-4,8,15,15-tetramethylbicyclo[12.1.0]pentadeca-4,8,12-triene-12-carbaldehyde 302.2245802 3.0381 3.44 5.69 2 1 37.3 1 2 22 1
NPC239943 C14H14O9 3-O-Galloylshikimic Acid 326.06 -2.449 2.01 -0.701 6 6 164.75 10 2 23 1
NPC264145 C8H8O5 Gallic Acid Methyl Ester 184.04 -1.3697 1.79 0.323 2 3 86.99 6 1 13 0
NPC301000 C21H32O3 (1R,4E,8E,11S,12Z,14R)-11-methoxy-4,8,15,15-tetramethylbicyclo[12.1.0]pentadeca-4,8,12-triene-12-carboxylic acid 332.2351449 3.3992 3.44 5.699 3 1 46.53 2 2 24 1
NPC45667 C20H30O2 (1R,4E,8E,12E,14R)-12-(hydroxymethyl)-4,8,15,15-tetramethylbicyclo[12.1.0]pentadeca-4,8,12-trien-11-one 302.2245802 2.8079 3.44 5.429 2 1 37.3 1 2 22 1
NPC48935 C20H30O2 302.2245802 3.0381 3.44 5.69 2 1 37.3 1 2 22 1
NPC52086 C11H10O5 222.0528234 -0.2939 2.12 0.644 1 1 64.99 5 2 16 0
NPC53777 C19H29NO7 (1R,5S,6R,7R,11Z)-4-ethyl-5,7-dihydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione 383.1944023 -1.533 2.67 0.22 8 2 113.37 1 2 27 0
NPC60709 C41H28O27 952.0817956 -7.4549 3 -1.905 15 14 450.25 3 9 68 2
NPC61126 C20H30O2 302.2245802 3.0381 3.44 5.69 2 1 37.3 1 2 22 1
NPC61904 C28H24O15 Astragalin 2''-O-Gallate 600.11 -5.4435 2.89 0.573 8 9 253.13 16 5 43 1
NPC73942 C20H30O 286.2296656 3.6112 3.55 6.447 1 0 17.07 1 2 21 1
NPC80040 C20H30O2 302.2245802 2.8079 3.44 5.429 2 1 37.3 1 2 22 1

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