24 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.



12 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: NPC70172
Formula: C14H18N2O3

Ingredient ID: NPC63293
Formula: C30H22O8

Ingredient ID: NPC60656
Formula: C27H32O15

Ingredient ID: NPC44220
Formula: C27H32O14

Ingredient ID: NPC3224
Formula: C15H12O4

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: NPC176893
Formula: C15H12O3

Ingredient ID: NPC173978
Formula: C15H12O3

Ingredient ID: NPC164217
Formula: C27H32O14

Ingredient ID: NPC113549
Formula: C21H27N3O6

Ingredient ID: NPC110899
Formula: C9H10O5

Ingredient ID: NPC105591
Formula: C28H24O13

Ingredient ID: NPC103838
Formula: C30H22O8

Ingredient ID: NPC103540
Formula: C14H8O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC103540 C14H8O4 Danthron 240.04 -1.4482 2.56 1.304 2 2 74.6 2 3 18 0
NPC103838 C30H22O8 510.1314677 -2.6388 3.88 2.744 3 6 155.52 2 6 38 1
NPC105591 C28H24O13 568.1216908 -3.5648 3.11 0.912 13 7 220.51 14 5 41 1
NPC110899 C9H10O5 Syringic Acid 198.05 -0.8037 1.9 0.182 2 2 75.99 7 1 14 0
NPC113549 C21H27N3O6 (E)-N-methyl-3-phenyl-N-[2-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazol-4-yl]ethyl]prop-2-enamide 417.1899856 -2.4877 2.78 2.561 9 4 128.28 8 3 30 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
NPC176893 C15H12O3 240.0786442 -0.7389 2.78 3.145 0 3 60.69 4 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
NPC3224 C15H12O4 1,8-Dihydroxy-3-Methyl-4A,9A-Dihydroanthracene-9,10-Dione 256.07 -0.4584 2.67 0.487 3 2 74.6 3 3 19 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
NPC70172 C14H18N2O3 [(3As,8Bs)-4,8B-Dimethyl-2,3A-Dihydro-1H-Furo[2,3-B]Indol-7-Yl] N-Methylcarbamate 262.13 0.8682 2.45 2.634 4 1 54.29 6 3 19 0
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)  
2. Physico-chemical Properties