15 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: NPC76336
Formula: C10H8O4

Ingredient ID: NPC73092
Formula: C9H6O3

Ingredient ID: NPC48367
Formula: C16H12O6

Ingredient ID: NPC4134
Formula: C10H16Br4

Ingredient ID: NPC283790
Formula: C16H20O9

Ingredient ID: NPC267801
Formula: C24H30O3

Ingredient ID: NPC248884
Formula: C17H24O2

Ingredient ID: NPC247553
Formula: C9H6O3

Ingredient ID: NPC240722
Formula: C11H10O4

Ingredient ID: NPC190771
Formula: C10H16O

Ingredient ID: NPC187880
Formula: C8H13NO2

Ingredient ID: NPC18205
Formula: C10H16O

Ingredient ID: NPC163533
Formula: C17H24O2

Ingredient ID: NPC137949
Formula: C9H6O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC137949 C9H6O4 Esculetin 178.03 -0.6506 2.01 0.998 1 2 66.76 2 2 13 0
NPC163533 C17H24O2 (3R,8S,9E)-heptadeca-1,9-dien-4,6-diyne-3,8-diol 260.17763 0.2016 3.11 4.573 2 2 40.46 8 0 19 0
NPC18205 C10H16O Citral 152.12 2.4893 2.45 2.701 1 0 17.07 7 0 11 0
NPC187880 C8H13NO2 155.0946287 -1.3269 2.01 -0.565 3 1 36 0 3 11 0
NPC190771 C10H16O (2Z)-3,7-dimethylocta-2,6-dienal 152.1201151 2.4893 2.45 2.701 1 0 17.07 4 0 11 0
NPC240722 C11H10O4 Scoparone 206.06 0.1664 2.23 1.607 1 0 44.76 4 2 15 0
NPC247553 C9H6O3 Umbelliferone 162.03 -0.1903 2.12 1.532 1 1 46.53 1 2 12 0
NPC248884 C17H24O2 Falcarindiol 260.18 0.2016 3.11 4.573 2 2 40.46 11 0 19 0
NPC267801 C24H30O3 7-[(2E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one 366.2194948 4.1481 3.77 6.896 1 0 35.53 9 2 27 1
NPC283790 C16H20O9 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydrochromen-2-one 356.1107322 -2.2529 2.23 -0.275 6 4 134.91 4 3 25 0
NPC4134 C10H16Br4 451.7985489 4.2863 2.12 6.13 0 0 0 2 1 14 1
NPC48367 C16H12O6 1,8-dihydroxy-3-(hydroxymethyl)-6-methoxyanthracene-9,10-dione 300.0633881 -1.9487 2.56 -0.16 3 3 104.06 2 3 22 0
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
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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