26 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: NPC76336
Formula: C10H8O4

Ingredient ID: NPC69699
Formula: C20H18O8

Ingredient ID: NPC60036
Formula: C15H18O3

Ingredient ID: NPC52513
Formula: C13H12O4

Ingredient ID: NPC38882
Formula: C15H25BrO

Ingredient ID: NPC35961
Formula: C18H19NO4

Ingredient ID: NPC299710
Formula: C14H12O3

Ingredient ID: NPC274613
Formula: C9H10O4

Ingredient ID: NPC269125
Formula: C15H25BrO

Ingredient ID: NPC256968
Formula: C15H25BrO

Ingredient ID: NPC240722
Formula: C11H10O4

Ingredient ID: NPC226250
Formula: C10H10O4

Ingredient ID: NPC205727
Formula: C21H20O9

Ingredient ID: NPC202116
Formula: C11H12O4

Ingredient ID: NPC196776
Formula: C30H50

Ingredient ID: NPC195749
Formula: C18H19NO4

Ingredient ID: NPC188895
Formula: C9H8O3

Ingredient ID: NPC180058
Formula: C8H8O3

Ingredient ID: NPC169042
Formula: C48H60O9

Ingredient ID: NPC159418
Formula: C9H10O4

Ingredient ID: NPC148387
Formula: C15H14O4

Ingredient ID: NPC135730
Formula: C15H14O3

Ingredient ID: NPC115203
Formula: C40H40O12

Ingredient ID: NPC114430
Formula: C15H25BrO

Ingredient ID: NPC107588
Formula: C11H12O4

Ingredient ID: NPC1075
Formula: C9H8O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC1075 C9H8O4 (Z)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid 180.04 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
NPC107588 C11H12O4 208.0735589 -0.1398 2.23 1.552 2 1 55.76 7 1 15 0
NPC114430 C15H25BrO (2S,4R,4aR,8aS)-2-bromo-4,8a-dimethyl-6-propan-2-yl-1,2,3,4,7,8-hexahydronaphthalen-4a-ol 300.1088775 1.7867 2.89 4.203 1 1 20.23 1 2 17 0
NPC115203 C40H40O12 Boehmenan 712.25 -1.7611 4.54 5.613 4 3 159.44 24 5 52 2
NPC135730 C15H14O3 Mansonone E 242.09 0.5727 2.78 2.798 3 0 43.37 3 3 18 0
NPC148387 C15H14O4 258.0892089 0.1124 2.67 1.413 3 1 63.6 0 3 19 0
NPC159418 C9H10O4 182.0579088 -0.5009 2.01 0.947 2 1 55.76 6 1 13 0
NPC169042 C48H60O9 (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-6a-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 780.4237335 1.1188 5.75 11.532 6 4 150.59 10 7 57 1
NPC180058 C8H8O3 2,3,6-trideuterio-4-hydroxy-5-methoxybenzaldehyde 152.0473441 -0.7045 2.01 1.04 1 1 46.53 2 1 11 0
NPC188895 C9H8O3 Methyl 4-Formylbenzoate 164.05 -0.1812 2.12 2.005 3 0 43.37 4 1 12 0
NPC195749 C18H19NO4 N-Trans-Feruloyl Tyramine 313.13 -0.6499 2.89 3.109 2 3 82.28 10 2 23 0
NPC196776 C30H50 (3R,8R,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene 410.3912516 2.7031 4.76 13.664 0 0 0 5 4 30 1
NPC202116 C11H12O4 (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal 208.0735589 -0.3952 2.23 0.868 1 1 55.76 4 1 15 0
NPC205727 C21H20O9 416.1107322 -1.2034 2.78 0.742 2 2 112.91 10 4 30 0
NPC226250 C10H10O4 Methylcaffeate 194.06 -0.5483 2.12 1.462 2 2 66.76 6 1 14 0
NPC240722 C11H10O4 Scoparone 206.06 0.1664 2.23 1.607 1 0 44.76 4 2 15 0
NPC256968 C15H25BrO (3R,4R,4aS,6R,8aS)-3-bromo-4,8a-dimethyl-6-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol 300.1088775 1.5014 2.89 4.499 1 1 20.23 1 2 17 0
NPC269125 C15H25BrO (1aR,2R,2aR,5R,5aR,7aS)-5-bromo-1,1,2a,5a-tetramethyl-1a,2,3,4,5,6,7,7a-octahydrocyclopropa[f]azulen-2-ol 300.1088775 1.8101 2.89 4.718 1 1 20.23 0 3 17 0
NPC274613 C9H10O4 182.0579088 -0.7563 2.01 0.596 1 1 55.76 6 1 13 0
NPC299710 C14H12O3 4-hydroxy-3-[(4-hydroxyphenyl)methyl]benzaldehyde 228.0786442 -0.6568 2.67 3.054 1 2 57.53 3 2 17 0
NPC35961 C18H19NO4 Cis-N-Feruloyltyramine 313.13 -0.6499 2.89 3.109 2 3 82.28 10 2 23 0
NPC38882 C15H25BrO (2R,4S,4aS,6R,8aS)-2-bromo-4,8a-dimethyl-6-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol 300.1088775 2.045 2.89 4.499 1 1 20.23 1 2 17 0
NPC52513 C13H12O4 2,8-dihydroxy-7-methoxy-6-methylnaphthalene-1-carbaldehyde 232.0735589 -0.5228 2.45 1.65 1 2 66.76 2 2 17 0
NPC60036 C15H18O3 246.1255944 -0.0572 2.78 2.165 2 0 47.28 1 3 18 0
NPC69699 C20H18O8 (2S,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one 386.1001675 -1.1516 2.78 1.186 2 2 103.68 4 4 28 0
NPC76336 C10H8O4 Scopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0

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