13 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: NPC91335
Formula: C23H22O6

Ingredient ID: NPC76336
Formula: C10H8O4

Ingredient ID: NPC73416
Formula: C15H10O4

Ingredient ID: NPC44437
Formula: C14H8O4

Ingredient ID: NPC294226
Formula: C14H8O4

Ingredient ID: NPC287994
Formula: C24H24O7

Ingredient ID: NPC27376
Formula: C24H26O7

Ingredient ID: NPC238629
Formula: C14H8O5

Ingredient ID: NPC223832
Formula: C24H24O6

Ingredient ID: NPC208806
Formula: C16H10O5

Ingredient ID: NPC1397
Formula: C15H10O5

Ingredient ID: NPC134158
Formula: C19H16O7

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC134158 C19H16O7 6,11-dihydroxy-12-methoxy-3,3-dimethylchromeno[6,5-c][1,5]benzodioxepin-7-one 356.0896029 -0.3098 2.78 2.399 1 2 94.45 1 4 26 0
NPC1397 C15H10O5 1,3-dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione 270.0528234 -1.8969 2.56 1.564 3 3 94.83 1 3 20 0
NPC208806 C16H10O5 Damnacanthal 282.05 -1.2321 2.67 2.325 3 1 80.67 4 3 21 0
NPC223832 C24H24O6 11-hydroxy-12-methoxy-3,3-dimethyl-5-(3-methylbut-2-enyl)chromeno[6,5-c][1,5]benzodioxepin-7-one 408.1572885 2.0279 3.44 4.832 1 1 74.22 3 4 30 0
NPC238629 C14H8O5 Purpurin 256.04 -1.9085 2.45 1.192 2 3 94.83 3 3 19 0
NPC27376 C24H26O7 2,7,9-trihydroxy-1-methoxy-8,10-bis(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-one 426.1678532 2.0769 3.33 3.939 1 3 105.45 5 3 31 0
NPC287994 C24H24O7 6,11-dihydroxy-12-methoxy-3,3-dimethyl-5-(3-methylbut-2-enyl)chromeno[6,5-c][1,5]benzodioxepin-7-one 424.1522031 1.5676 3.33 3.869 1 2 94.45 3 4 31 0
NPC294226 C14H8O4 Athraquinones A 240.04 -1.4482 2.56 2.155 2 2 74.6 2 3 18 0
NPC44437 C14H8O4 Xanthopurpurin 240.04 -1.4482 2.56 1.726 2 2 74.6 2 3 18 0
NPC73416 C15H10O4 1-Hydroxy-2-Methoxyanthracene-9,10-Dione 254.06 -1.0397 2.67 2.245 2 1 63.6 3 3 19 0
NPC76336 C10H8O4 Scopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0
NPC91335 C23H22O6 394.1416384 -0.4531 3.33 4.405 4 0 71.06 3 5 29 0

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