37 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: NPC94045
Formula: C15H14O2

Ingredient ID: NPC83831
Formula: C20H30O2

Ingredient ID: NPC76145
Formula: C10H16

Ingredient ID: NPC71853
Formula: C10H12O

Ingredient ID: NPC52691
Formula: C20H30O2

Ingredient ID: NPC47844
Formula: C7H10O5

Ingredient ID: NPC44129
Formula: C16H24O9

Ingredient ID: NPC4152
Formula: C15H12O5

Ingredient ID: NPC35543
Formula: C16H16O2

Ingredient ID: NPC33090
Formula: C20H22O7

Ingredient ID: NPC309399
Formula: C20H30O2

Ingredient ID: NPC304163
Formula: C16H24O9

Ingredient ID: NPC283908
Formula: C20H30O2

Ingredient ID: NPC283655
Formula: C10H18O

Ingredient ID: NPC279666
Formula: C20H30O2

Ingredient ID: NPC27184
Formula: C10H18O

Ingredient ID: NPC270818
Formula: C20H30O2

Ingredient ID: NPC260412
Formula: C16H24O10

Ingredient ID: NPC253722
Formula: C20H22O7

Ingredient ID: NPC253481
Formula: C20H22O7

Ingredient ID: NPC249554
Formula: C30H38O15

Ingredient ID: NPC243591
Formula: C20H30O

Ingredient ID: NPC241911
Formula: C16H22O10

Ingredient ID: NPC231730
Formula: C20H32O2

Ingredient ID: NPC229403
Formula: C15H24

Ingredient ID: NPC219945
Formula: C18H18

Ingredient ID: NPC210633
Formula: C16H24O10

Ingredient ID: NPC207272
Formula: C16H24O9

Ingredient ID: NPC203108
Formula: C37H32O12S

Ingredient ID: NPC190810
Formula: C10H16

Ingredient ID: NPC177228
Formula: C22H20O6S

Ingredient ID: NPC157403
Formula: C20H30O

Ingredient ID: NPC136699
Formula: C15H22O9

Ingredient ID: NPC128248
Formula: C20H28O2

Ingredient ID: NPC112440
Formula: C29H36O15

Ingredient ID: NPC109854
Formula: C20H30O2

Ingredient ID: NPC100362
Formula: C10H18O

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC100362 C10H18O (1R,3S,4S)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-ol 154.1357652 1.0088 2.45 2.312 1 1 20.23 0 2 11 0
NPC109854 C20H30O2 (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylic acid 302.2245802 1.3773 3.44 6.113 2 1 37.3 2 3 22 1
NPC112440 C29H36O15 624.2054205 -4.2978 3 -0.202 11 9 245.29 11 4 44 3
NPC128248 C20H28O2 Dehydroabietic Acid 300.21 0.9014 3.44 7.946 2 1 37.3 7 3 22 1
NPC136699 C15H22O9 Aucubin 346.13 -3.5817 2.12 -2.39 9 6 149.07 10 3 24 1
NPC157403 C20H30O (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carbaldehyde 286.2296656 1.8149 3.55 7.349 1 0 17.07 2 3 21 1
NPC177228 C22H20O6S (2R,3S,4S)-4-benzylsulfanyl-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol 412.0980594 -2.0046 3.11 3.801 1 5 135.68 4 4 29 0
NPC190810 C10H16 136.1252005 2.1424 2.56 3.729 0 0 0 3 1 10 0
NPC203108 C37H32O12S (2R,3S,4S)-4-benzylsulfanyl-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol 700.1614475 -4.6919 4.1 3.56 2 10 246.06 6 7 50 1
NPC207272 C16H24O9 (1S,4aS,5R,7R,7aR)-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde 360.1420323 -3.1324 2.23 -1.121 9 5 145.91 4 3 25 0
NPC210633 C16H24O10 (1S,4aR,5R,7R,7aR)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carbaldehyde 376.136947 -3.8433 2.12 -1.21 10 6 166.14 4 3 26 1
NPC219945 C18H18 1-methyl-7-propan-2-ylphenanthrene 234.1408506 1.2149 3.44 9.537 0 0 0 1 3 18 1
NPC229403 C15H24 204.1878008 1.8468 3.11 6.444 0 0 0 3 3 15 1
NPC231730 C20H32O2 304.2402303 1.0164 3.44 6.075 2 0 26.3 1 4 22 1
NPC241911 C16H22O10 374.1212969 -3.1722 2.12 -2.175 10 6 166.14 11 3 26 1
NPC243591 C20H30O (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carbaldehyde 286.2296656 2.0155 3.55 6.73 1 0 17.07 2 3 21 1
NPC249554 C30H38O15 638.2210705 -3.8893 3.11 -0.112 11 8 234.29 12 4 45 3
NPC253481 C20H22O7 374.136553 -1.5126 2.89 1.897 3 3 105.45 11 3 27 0
NPC253722 C20H22O7 374.136553 -1.5126 2.89 1.897 3 3 105.45 11 3 27 0
NPC260412 C16H24O10 (1S,4aR,7S,7aR)-4a,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carbaldehyde 376.136947 -3.5161 2.12 -1.73 10 6 166.14 4 3 26 1
NPC270818 C20H30O2 (1R,4aS,10aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid 302.2245802 1.375 3.44 5.368 2 1 37.3 2 3 22 1
NPC27184 C10H18O 2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol 154.1357652 1.1223 2.45 2.369 1 1 20.23 1 1 11 0
NPC279666 C20H30O2 302.2245802 1.9681 3.44 6.316 2 1 37.3 6 3 22 1
NPC283655 C10H18O 154.1357652 0.9432 2.45 2.734 1 1 20.23 4 2 11 0
NPC283908 C20H30O2 Pimaric Acid 302.22 1.7675 3.44 6.935 2 1 37.3 6 3 22 1
NPC304163 C16H24O9 360.1420323 -3.077 2.23 -0.609 9 5 145.91 10 3 25 0
NPC309399 C20H30O2 Abietic Acid 302.22 1.3773 3.44 6.113 2 1 37.3 7 3 22 1
NPC33090 C20H22O7 (3S,4S)-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one 374.136553 -1.5126 2.89 1.897 3 3 105.45 6 3 27 0
NPC35543 C16H16O2 3,5-O-Dimethylpinosylvin 240.12 0.3642 3 6.492 0 0 18.46 6 2 18 1
NPC4152 C15H12O5 272.0684735 -2.0063 2.56 2.158 2 3 86.99 4 3 20 0
NPC44129 C16H24O9 360.1420323 -3.1324 2.23 -1.332 9 5 145.91 4 3 25 0
NPC47844 C7H10O5 174.0528234 -1.4373 1.68 -1.094 5 4 97.99 5 1 12 0
NPC52691 C20H30O2 (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid 302.2245802 1.375 3.44 5.368 2 1 37.3 2 3 22 1
NPC71853 C10H12O Estragole 148.09 0.9769 2.45 3.658 0 0 9.23 4 1 11 0
NPC76145 C10H16 Limonene 136.13 2.1424 2.56 3.729 0 0 0 3 1 10 0
NPC83831 C20H30O2 (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid 302.2245802 2.1484 3.44 5.776 2 1 37.3 1 3 22 1
NPC94045 C15H14O2 Pinosylvin Methyl Ether 226.1 -0.0443 2.89 5.973 0 1 29.46 5 2 17 1

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