35 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.



16 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC90665
Formula: C16H12O6

Ingredient ID: NPC88116
Formula: C29H46O5

Ingredient ID: NPC84383
Formula: C42H72O3

Ingredient ID: NPC80710
Formula: C16H12O5

Ingredient ID: NPC70622
Formula: C15H10O5

Ingredient ID: NPC70136
Formula: C15H10O5

Ingredient ID: NPC62290
Formula: C15H12O6

Ingredient ID: NPC57587
Formula: C21H22O9

Ingredient ID: NPC51104
Formula: C18H26O12

Ingredient ID: NPC473890
Formula: C36H62O6

Ingredient ID: NPC41577
Formula: C30H52O

Ingredient ID: NPC30590
Formula: C30H50O

Ingredient ID: NPC298904
Formula: C20H30O3

Ingredient ID: NPC294852
Formula: C15H12O6

Ingredient ID: NPC290598
Formula: C30H50O

Ingredient ID: NPC26697
Formula: C15H12O5

Ingredient ID: NPC258435
Formula: C16H14O6

Ingredient ID: NPC25511
Formula: C30H50O

Ingredient ID: NPC247829
Formula: C29H50O2

Ingredient ID: NPC246162
Formula: C15H12O7

Ingredient ID: NPC234560
Formula: C15H10O4

Ingredient ID: NPC211376
Formula: C15H12O6

Ingredient ID: NPC209560
Formula: C16H12O4

Ingredient ID: NPC192638
Formula: C30H50O

Ingredient ID: NPC179950
Formula: C21H20O12

Ingredient ID: NPC170742
Formula: C15H14O9

Ingredient ID: NPC163050
Formula: C17H22O12

Ingredient ID: NPC1612
Formula: C15H12O5

Ingredient ID: NPC159020
Formula: C16H14O7

Ingredient ID: NPC154257
Formula: C21H20O9

Ingredient ID: NPC147686
Formula: C15H12O4

Ingredient ID: NPC14151
Formula: C20H30O3

Ingredient ID: NPC133671
Formula: C21H20O11

Ingredient ID: NPC122418
Formula: C30H50O

Ingredient ID: NPC121522
Formula: C17H14O5

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC121522 C17H14O5 Castanin 298.08 -1.2306 2.78 2.55 1 1 64.99 6 3 22 0
NPC122418 C30H50O 426.3861662 2.3656 4.65 11.448 1 1 20.23 9 5 31 1
NPC133671 C21H20O11 Astragalin 448.1 -4.4318 2.56 0.18 7 7 186.37 11 4 32 1
NPC14151 C20H30O3 318.2194948 0.9821 3.33 3.105 3 2 57.53 7 3 23 0
NPC147686 C15H12O4 Liquirtigenin 256.07 -1.3541 2.67 1.86 1 2 66.76 3 3 19 0
NPC154257 C21H20O9 416.1107322 -3.1438 2.78 -0.121 7 5 153.75 3 4 30 0
NPC159020 C16H14O7 (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-2,3-dihydrochromen-4-one 318.0739528 -2.3265 2.45 -0.081 1 4 116.45 2 3 23 0
NPC1612 C15H12O5 Butin 272.07 -1.8144 2.56 1.326 1 3 86.99 4 3 20 0
NPC163050 C17H22O12 5-[(2S,3R,4S,5R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxybenzoic acid 418.1111261 -3.8053 2.01 -1.112 10 7 195.6 6 3 29 1
NPC170742 C15H14O9 338.063782 -4.1537 2.12 -1.095 3 8 178.91 12 2 24 1
NPC179950 C21H20O12 Isoquercetin 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
NPC192638 C30H50O Lupeol 426.39 3.2313 4.65 11.901 1 1 20.23 9 5 31 1
NPC209560 C16H12O4 Formononetin 268.07 -1.1788 2.78 2.994 1 1 55.76 4 3 20 0
NPC211376 C15H12O6 (2S)-2-(3,4-dihydroxyphenyl)-6,7-dihydroxy-2,3-dihydrochromen-4-one 288.0633881 -2.2747 2.45 0.792 1 4 107.22 1 3 21 0
NPC234560 C15H10O4 Daidzein 254.06 -1.5873 2.67 2.475 1 2 66.76 3 3 19 0
NPC246162 C15H12O7 (+)-Taxifolin 304.06 -2.9269 2.34 0.028 2 5 127.45 6 3 22 0
NPC247829 C29H50O2 (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol 430.3810808 0.7269 4.43 9.776 2 2 40.46 6 4 31 1
NPC25511 C30H50O 426.3861662 3.2313 4.65 11.901 1 1 20.23 9 5 31 1
NPC258435 C16H14O6 302.0790382 -1.8662 2.56 0.882 1 3 96.22 2 3 22 0
NPC26697 C15H12O5 Butein 272.07 -1.7439 2.56 2.019 1 4 97.99 7 2 20 0
NPC290598 C30H50O Beta-Amyrin 426.39 3.0116 4.65 11.546 1 1 20.23 9 5 31 1
NPC294852 C15H12O6 Eriodictyol 288.06 -2.2747 2.45 0.363 1 4 107.22 5 3 21 0
NPC298904 C20H30O3 318.2194948 1.4997 3.33 2.356 3 2 57.53 7 3 23 0
NPC30590 C30H50O 426.3861662 3.0116 4.65 11.546 1 1 20.23 9 5 31 1
NPC41577 C30H52O Cycloartanol 428.4 2.0263 4.65 12.778 1 1 20.23 13 5 31 1
NPC473890 C36H62O6 590.45 -0.0618 4.76 11.093 6 4 99.38 20 5 42 1
NPC51104 C18H26O12 (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3-hydroxy-5-methoxyphenoxy)oxane-3,4,5-triol 434.1424263 -4.128 2.12 -2.019 9 7 187.76 7 3 30 1
NPC57587 C21H22O9 (E)-3-(4-hydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one 418.1263823 -3.0305 2.78 1.656 6 6 156.91 6 3 30 1
NPC62290 C15H12O6 288.0633881 -2.4666 2.45 0.562 2 4 107.22 5 3 21 0
NPC70136 C15H10O5 3',4',7-Trihydroxyflavon 270.05 -1.8845 2.56 1.996 1 3 86.99 4 3 20 0
NPC70622 C15H10O5 Aloe-Emodin 270.05 -1.8969 2.56 0.284 3 3 94.83 4 3 20 0
NPC80710 C16H12O5 Calycosin 284.07 -1.6391 2.67 2.031 1 2 75.99 5 3 21 0
NPC84383 C42H72O3 624.5481462 -0.2425 5.75 16.37 3 1 46.53 25 5 45 2
NPC88116 C29H46O5 474.3345246 -0.03 4.1 6.931 5 4 97.99 11 5 34 1
NPC90665 C16H12O6 300.0633881 -2.0994 2.56 1.068 1 3 96.22 6 3 22 0

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1. General Information & structure data (InChi, InChiKey, SMILES)  
2. Physico-chemical Properties