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.



7 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC91492
Formula: C16H12O4

Ingredient ID: NPC7439
Formula: C17H14O6

Ingredient ID: NPC34245
Formula: C16H12O6

Ingredient ID: NPC303967
Formula: C16H14O3

Ingredient ID: NPC28951
Formula: C16H14O4

Ingredient ID: NPC280254
Formula: C6H6O3

Ingredient ID: NPC256555
Formula: C16H12O5

Ingredient ID: NPC235467
Formula: C17H16O4

Ingredient ID: NPC199040
Formula: C19H18O8

Ingredient ID: NPC182087
Formula: C17H14O5

Ingredient ID: NPC168508
Formula: C18H27N3O4S

Ingredient ID: NPC159869
Formula: C17H16O4

Ingredient ID: NPC145052
Formula: C17H16O4

Ingredient ID: NPC135107
Formula: C28H32O15

Ingredient ID: NPC110067
Formula: C17H14O5

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC110067 C17H14O5 Kuhlmannin 298.08 -0.4895 2.78 3.874 1 1 64.99 6 3 22 0
NPC135107 C28H32O15 3-[4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-5-hydroxy-6,7-dimethoxychromen-4-one 608.1741203 -4.8465 2.89 -0.858 10 7 223.29 9 5 43 1
NPC145052 C17H16O4 3,4-Dimethoxydalbergione 284.1 -0.1855 2.89 4.621 4 0 52.6 7 2 21 0
NPC159869 C17H16O4 2-methoxy-5-[(1S)-1-(4-methoxyphenyl)prop-2-enyl]cyclohexa-2,5-diene-1,4-dione 284.104859 0.1546 2.89 2.882 3 0 52.6 5 2 21 0
NPC168508 C18H27N3O4S (5-methyl-2-propan-2-ylcyclohexyl) 5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate 381.1722273 0.8975 2.56 4.681 7 2 120.51 5 3 26 0
NPC182087 C17H14O5 6-hydroxy-7-methoxy-4-(4-methoxyphenyl)chromen-2-one 298.0841235 -0.4895 2.78 2.819 1 1 64.99 3 3 22 0
NPC199040 C19H18O8 5,7-dihydroxy-6-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one 374.1001675 -1.7945 2.67 0.699 1 2 103.68 5 3 27 0
NPC235467 C17H16O4 2-methoxy-5-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]cyclohexa-2,5-diene-1,4-dione 284.104859 0.1546 2.89 2.882 3 0 52.6 5 2 21 0
NPC256555 C16H12O5 284.0684735 -0.898 2.67 2.3 1 2 75.99 5 3 21 0
NPC280254 C6H6O3 Pyrogallol 126.03 -1.3809 1.79 0.765 0 3 60.69 3 1 9 0
NPC28951 C16H14O4 S-4'-Hydroxy-4-Methoxydalbergione 270.09 -0.2539 2.78 2.363 3 1 63.6 6 2 20 0
NPC303967 C16H14O3 (R)-4' '-Methoxydalbergione 254.09 0.2064 2.89 4.381 3 0 43.37 5 2 19 0
NPC34245 C16H12O6 3'-Hydroxymelanettin 300.06 -1.3583 2.56 1.555 1 3 96.22 6 3 22 0
NPC7439 C17H14O6 314.0790382 -0.9498 2.67 1.645 1 2 85.22 7 3 23 0
NPC91492 C16H12O4 Dalbergin 268.07 -0.4377 2.78 4.318 1 1 55.76 4 3 20 0

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