17 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: NPC81970
Formula: C20H16O7

Ingredient ID: NPC39102
Formula: C20H14O8

Ingredient ID: NPC34103
Formula: C22H26O8

Ingredient ID: NPC33611
Formula: C20H18O6

Ingredient ID: NPC310340
Formula: C16H14O5

Ingredient ID: NPC29883
Formula: C7H6O3

Ingredient ID: NPC294902
Formula: C9H8O4

Ingredient ID: NPC253481
Formula: C20H22O7

Ingredient ID: NPC243728
Formula: C35H60O6

Ingredient ID: NPC231149
Formula: C19H12O7

Ingredient ID: NPC20603
Formula: C15H22O

Ingredient ID: NPC188783
Formula: C15H22O

Ingredient ID: NPC185326
Formula: C10H12O4

Ingredient ID: NPC13422
Formula: C20H14O8

Ingredient ID: NPC120464
Formula: C17H14O7

Ingredient ID: NPC110958
Formula: C20H18O6

Ingredient ID: NPC110396
Formula: C8H8O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC110396 C8H8O4 2,6-Dimethoxyquinone 168.04 -0.8026 1.9 0.252 4 0 52.6 4 1 12 0
NPC110958 C20H18O6 (-)-Hinokinin 354.11 -0.4933 3 3.307 2 0 63.22 4 5 26 0
NPC120464 C17H14O7 Tricin 330.07 -1.9881 2.56 0.679 1 3 105.45 8 3 24 0
NPC13422 C20H14O8 (1R,3aR,4R,6aR)-1,4-bis(1,3-benzodioxol-5-yl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione 382.0688674 -1.1778 2.78 1.954 4 0 89.52 2 6 28 0
NPC185326 C10H12O4 1-(3,6-dihydroxy-2-methoxy-4-methylphenyl)ethanone 196.0735589 -0.5843 2.12 0.469 1 2 66.76 2 1 14 0
NPC188783 C15H22O (5R,8S,8aR)-3,8-dimethyl-5-prop-1-en-2-yl-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one 218.1670653 2.2689 3 3.523 1 0 17.07 1 2 16 0
NPC20603 C15H22O 218.1670653 2.2689 3 3.523 1 0 17.07 4 2 16 0
NPC231149 C19H12O7 Daphnoretin 352.06 -0.4663 2.78 3.359 2 1 91.29 5 4 26 0
NPC243728 C35H60O6 Daucosterol 576.44 -0.4469 4.65 10.487 6 4 99.38 19 5 41 1
NPC253481 C20H22O7 374.136553 -1.5126 2.89 1.897 3 3 105.45 11 3 27 0
NPC294902 C9H8O4 Caffeic Acid 180.04 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
NPC29883 C7H6O3 Paraben 138.03 -0.7001 1.9 1.07 2 2 57.53 3 1 10 0
NPC310340 C16H14O5 286.0841235 -0.3398 2.67 1.975 1 1 64.99 6 3 21 0
NPC33611 C20H18O6 5-[(3R,3As,6R,6As)-3-(1,3-Benzodioxol-5-Yl)-1,3,3A,4,6,6A-Hexahydrofuro[3,4-C]Furan-6-Yl]-1,3-Benzodioxole 354.11 -1.6034 3 2.576 2 0 55.38 2 6 26 0
NPC34103 C22H26O8 (-)-Syringaresinol 418.16 -2.1258 3 0.796 2 2 95.84 12 4 30 0
NPC39102 C20H14O8 382.0688674 -1.1778 2.78 1.954 4 0 89.52 2 6 28 0
NPC81970 C20H16O7 (3R,3aR,6R,6aS)-3,6-bis(1,3-benzodioxol-5-yl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]furan-4-one 368.0896029 -1.3906 2.89 2.265 3 0 72.45 2 6 27 0

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