23 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: NPC97541
Formula: C18H15N3O

Ingredient ID: NPC91215
Formula: C26H30O12

Ingredient ID: NPC76336
Formula: C10H8O4

Ingredient ID: NPC75085
Formula: C26H30O11

Ingredient ID: NPC73092
Formula: C9H6O3

Ingredient ID: NPC58233
Formula: C26H30O11

Ingredient ID: NPC48638
Formula: C10H16

Ingredient ID: NPC266441
Formula: C30H48O

Ingredient ID: NPC266020
Formula: C30H50O

Ingredient ID: NPC25511
Formula: C30H50O

Ingredient ID: NPC242242
Formula: C13H20O3

Ingredient ID: NPC24101
Formula: C17H17NO3

Ingredient ID: NPC240722
Formula: C11H10O4

Ingredient ID: NPC234741
Formula: C26H30O10

Ingredient ID: NPC226250
Formula: C10H10O4

Ingredient ID: NPC220540
Formula: C9H10O3

Ingredient ID: NPC216714
Formula: C7H6O2

Ingredient ID: NPC20790
Formula: C15H10O7

Ingredient ID: NPC201581
Formula: C14H14O4

Ingredient ID: NPC142871
Formula: C10H16

Ingredient ID: NPC137949
Formula: C9H6O4

Ingredient ID: NPC131192
Formula: C8H8O3

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
NPC131192 C8H8O3 Methylparaben 152.05 -0.4491 2.01 1.391 2 1 46.53 4 1 11 0
NPC137949 C9H6O4 Esculetin 178.03 -0.6506 2.01 0.998 1 2 66.76 2 2 13 0
NPC142871 C10H16 (6R)-3-methylidene-6-propan-2-ylcyclohexene 136.1252005 1.5645 2.56 4.472 0 0 0 1 1 10 0
NPC201581 C14H14O4 (8R)-8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one 246.0892089 0.2617 2.56 2.093 2 1 55.76 1 3 18 0
NPC20790 C15H10O7 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-olate 301.0348276 -3.135 2.34 1.381 2 4 130.28 1 3 22 0
NPC216714 C7H6O2 deuterio-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)methanone 122.0367794 -0.6527 2.01 1.484 1 1 37.3 1 1 9 0
NPC220540 C9H10O3 Methyl 4-Methoxybenzoate 166.06 -0.0406 2.12 1.91 2 0 35.53 5 1 12 0
NPC226250 C10H10O4 Methylcaffeate 194.06 -0.5483 2.12 1.462 2 2 66.76 6 1 14 0
NPC234741 C26H30O10 (2R)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one 502.1838972 -1.6839 3.22 1.259 6 6 166.14 6 4 36 1
NPC240722 C11H10O4 Scoparone 206.06 0.1664 2.23 1.607 1 0 44.76 4 2 15 0
NPC24101 C17H17NO3 N-P-Coumaroyl Tyramine 283.12 -0.5981 2.89 3.764 2 3 73.05 8 2 21 0
NPC242242 C13H20O3 4-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]but-3-en-2-one 224.1412445 0.6226 2.56 2.331 3 2 57.53 1 1 16 0
NPC25511 C30H50O 426.3861662 3.2313 4.65 11.901 1 1 20.23 9 5 31 1
NPC266020 C30H50O 4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one 426.3861662 3.2175 4.65 12.613 1 0 17.07 0 5 31 1
NPC266441 C30H48O (3aR,5aR,5bR,7aR,11aR,11bR,13aS)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-3,4,5,6,7,7a,10,11,11b,12,13,13a-dodecahydro-2H-cyclopenta[a]chrysen-9-one 424.3705162 3.172 4.65 10.286 1 0 17.07 1 5 31 1
NPC48638 C10H16 136.1252005 1.7112 2.56 4.427 0 0 0 4 1 10 0
NPC58233 C26H30O11 5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one 518.1788118 -2.9952 3.11 0.616 7 6 175.37 4 5 37 1
NPC73092 C9H6O3 3,4,5,6,8-pentadeuterio-7-hydroxychromen-2-one 162.0316941 -0.1903 2.12 1.532 1 1 46.53 0 2 12 0
NPC75085 C26H30O11 (2S,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one 518.1788118 -2.3361 3.11 0.924 7 7 186.37 6 4 37 1
NPC76336 C10H8O4 Scopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0
NPC91215 C26H30O12 3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 534.1737264 -3.636 3 1.38 8 8 206.6 7 4 38 1
NPC97541 C18H15N3O 289.1215121 -1.0762 3 3.651 4 2 48.13 0 5 22 0

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