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.



7 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC80710
Formula: C16H12O5

Ingredient ID: NPC78263
Formula: C21H20O11

Ingredient ID: NPC46436
Formula: C19H20O6

Ingredient ID: NPC35446
Formula: C20H20O4

Ingredient ID: NPC304543
Formula: C16H16O3

Ingredient ID: NPC294409
Formula: C16H12O5

Ingredient ID: NPC284264
Formula: C30H46O5

Ingredient ID: NPC279668
Formula: C16H12O6

Ingredient ID: NPC277947
Formula: C17H16O5

Ingredient ID: NPC270456
Formula: C17H18O5

Ingredient ID: NPC262359
Formula: C16H14O4

Ingredient ID: NPC245889
Formula: C17H16O5

Ingredient ID: NPC243728
Formula: C35H60O6

Ingredient ID: NPC233752
Formula: C17H16O5

Ingredient ID: NPC228024
Formula: C28H32O16

Ingredient ID: NPC226333
Formula: C33H40O19

Ingredient ID: NPC225434
Formula: C22H22O12

Ingredient ID: NPC22152
Formula: C16H14O5

Ingredient ID: NPC192638
Formula: C30H50O

Ingredient ID: NPC182428
Formula: C17H14O4

Ingredient ID: NPC181465
Formula: C27H30O15

Ingredient ID: NPC143427
Formula: C15H12O4

Ingredient ID: NPC135350
Formula: C46H76O18

Ingredient ID: NPC112368
Formula: C16H14O5

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC112368 C16H14O5 (6aR,11aR)-3-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-4,9-diol 286.0841235 -1.6255 2.67 1.351 0 2 68.15 1 4 21 0
NPC135350 C46H76O18 916.5031656 -4.6036 4.54 2.032 18 11 287.14 9 9 64 2
NPC143427 C15H12O4 256.0735589 -1.2836 2.67 2.764 1 3 77.76 6 2 19 0
NPC181465 C27H30O15 Nicotifloroside 594.16 -5.6787 2.78 -0.654 11 9 245.29 16 5 42 2
NPC182428 C17H14O4 282.0892089 -0.7703 2.89 3.513 1 0 44.76 5 3 21 0
NPC192638 C30H50O Lupeol 426.39 3.2313 4.65 11.901 1 1 20.23 9 5 31 1
NPC22152 C16H14O5 286.0841235 -1.4059 2.67 1.416 1 2 75.99 2 3 21 0
NPC225434 C22H22O12 Isorhamnetin 3-Glucoside 478.11 -4.4836 2.56 -0.264 7 7 195.6 13 4 34 1
NPC226333 C33H40O19 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one 740.2163791 -6.9256 3 -1.059 15 11 304.21 8 6 52 2
NPC228024 C28H32O16 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one 624.1690349 -5.7305 2.78 -0.669 11 9 254.52 7 5 44 2
NPC233752 C17H16O5 (2R)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one 300.0997736 -0.9974 2.78 1.935 1 1 64.99 3 3 22 0
NPC243728 C35H60O6 Daucosterol 576.44 -0.4469 4.65 10.487 6 4 99.38 19 5 41 1
NPC245889 C17H16O5 1-(2,4-dihydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one 300.0997736 -0.9269 2.78 2.628 1 2 75.99 5 2 22 0
NPC262359 C16H14O4 (E)-1-(2,4-Dihydroxyphenyl)-3-(4-Methoxyphenyl)Prop-2-En-1-One 270.09 -0.8751 2.78 3.283 1 2 66.76 7 2 20 0
NPC270456 C17H18O5 302.1154237 -1.1516 2.78 1.882 0 2 68.15 7 3 22 0
NPC277947 C17H16O5 1-(2,4-dihydroxyphenyl)-3-(2,3-dimethoxyphenyl)prop-2-en-1-one 300.0997736 -0.9269 2.78 2.628 1 2 75.99 5 2 22 0
NPC279668 C16H12O6 300.0633881 -2.0994 2.56 1.068 1 3 96.22 6 3 22 0
NPC284264 C30H46O5 486.3345246 0.2943 4.21 4.279 5 2 83.83 2 6 35 0
NPC294409 C16H12O5 Biochanin 284.07 -1.6391 2.67 2.031 1 2 75.99 5 3 21 0
NPC304543 C16H16O3 256.1099444 -0.1834 2.89 3.947 0 2 49.69 4 2 19 0
NPC35446 C20H20O4 1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one 324.1361591 0.5938 3.22 4.234 1 3 77.76 5 2 24 0
NPC46436 C19H20O6 344.1259884 -1.4615 2.89 2.126 3 2 93.06 8 2 25 0
NPC78263 C21H20O11 448.1005615 -4.4318 2.56 0.18 11 7 186.37 11 4 32 1
NPC80710 C16H12O5 Calycosin 284.07 -1.6391 2.67 2.031 1 2 75.99 5 3 21 0

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