18 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: NPC91239
Formula: C30H22O7

Ingredient ID: NPC76128
Formula: C22H22O10

Ingredient ID: NPC70622
Formula: C15H10O5

Ingredient ID: NPC63293
Formula: C30H22O8

Ingredient ID: NPC60656
Formula: C27H32O15

Ingredient ID: NPC44220
Formula: C27H32O14

Ingredient ID: NPC313047
Formula: C30H22O7

Ingredient ID: NPC312929
Formula: C16H12O5

Ingredient ID: NPC293545
Formula: C30H22O8

Ingredient ID: NPC282923
Formula: C15H10O4

Ingredient ID: NPC267205
Formula: C15H12O4

Ingredient ID: NPC254847
Formula: C15H10O5

Ingredient ID: NPC241602
Formula: C21H20O10

Ingredient ID: NPC211264
Formula: C21H22O9

Ingredient ID: NPC173978
Formula: C15H12O3

Ingredient ID: NPC164217
Formula: C27H32O14

Ingredient ID: NPC110899
Formula: C9H10O5

Ingredient ID: NPC103838
Formula: C30H22O8

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC103838 C30H22O8 510.1314677 -2.6388 3.88 2.744 3 6 155.52 2 6 38 1
NPC110899 C9H10O5 Syringic Acid 198.05 -0.8037 1.9 0.182 2 2 75.99 7 1 14 0
NPC164217 C27H32O14 580.1792057 -4.5469 2.89 -0.912 12 9 236.06 6 5 41 2
NPC173978 C15H12O3 1,8-Dihydroxy-3-Methyl-10H-Anthracen-9-One 240.08 -0.0862 2.78 2.967 1 2 57.53 3 3 18 0
NPC211264 C21H22O9 418.1263823 -2.8 2.78 0.196 7 6 156.91 3 4 30 1
NPC241602 C21H20O10 432.1056468 -3.6438 2.67 -0.824 8 6 173.98 4 4 31 1
NPC254847 C15H10O5 Emodin 270.05 -1.2665 2.56 0.664 2 3 94.83 4 3 20 0
NPC267205 C15H12O4 Emodin Anthrone 256.07 -0.5465 2.67 1.793 1 3 77.76 4 3 19 0
NPC282923 C15H10O4 Chrysophanol 254.06 -0.8062 2.67 1.627 2 2 74.6 3 3 19 0
NPC293545 C30H22O8 (9S,9's)-2,2',4,4',5,5'-Hexahydroxy-7,7'-Dimethyl-9,9'-Bianthracene-10,10'(9H,9'h)-Dione 510.13 -2.0084 3.88 3.124 2 6 155.52 9 6 38 1
NPC312929 C16H12O5 Physcion 284.07 -0.858 2.67 1.183 2 2 83.83 5 3 21 0
NPC313047 C30H22O7 (9S,9'r)-2,4,4',5,5'-Pentahydroxy-2',7-Dimethyl-9,9'-Bianthracene-10,10'(9H,9'h)-Dione 494.14 -1.5481 3.99 4.298 2 5 135.29 8 6 37 0
NPC44220 C27H32O14 (10S)-1-hydroxy-3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one 580.1792057 -5.7466 2.89 -1.796 12 10 247.06 6 5 41 2
NPC60656 C27H32O15 596.1741203 -5.6376 2.78 -2.255 13 10 256.29 7 5 42 2
NPC63293 C30H22O8 510.1314677 -3.2692 3.88 2.364 4 6 155.52 3 6 38 1
NPC70622 C15H10O5 Aloe-Emodin 270.05 -1.8969 2.56 0.284 3 3 94.83 4 3 20 0
NPC76128 C22H22O10 446.1212969 -2.6049 2.78 0.075 10 5 162.98 11 4 32 0
NPC91239 C30H22O7 494.136553 -2.1785 3.99 3.918 3 5 135.29 2 6 37 0

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