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.



23 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC85473
Formula: C21H20O10

Ingredient ID: NPC71074
Formula: C30H48O4

Ingredient ID: NPC70744
Formula: C10H10O4

Ingredient ID: NPC6984
Formula: C8H8O2

Ingredient ID: NPC61
Formula: C18H16O8

Ingredient ID: NPC50898
Formula: C15H10O5

Ingredient ID: NPC39360
Formula: C21H20O10

Ingredient ID: NPC34125
Formula: C30H62O

Ingredient ID: NPC302857
Formula: C16H18O9

Ingredient ID: NPC301585
Formula: C14H28O2

Ingredient ID: NPC294902
Formula: C9H8O4

Ingredient ID: NPC282923
Formula: C15H10O4

Ingredient ID: NPC279121
Formula: C15H10O6

Ingredient ID: NPC278102
Formula: C7H6O3

Ingredient ID: NPC268366
Formula: C13H14O9

Ingredient ID: NPC264145
Formula: C8H8O5

Ingredient ID: NPC238672
Formula: C14H16O9.H2O

Ingredient ID: NPC231772
Formula: C16H12O5

Ingredient ID: NPC210003
Formula: C21H20O10

Ingredient ID: NPC20791
Formula: C15H10O7

Ingredient ID: NPC206221
Formula: C10H12O5

Ingredient ID: NPC202474
Formula: C12H14O4

Ingredient ID: NPC201562
Formula: C13H20O3

Ingredient ID: NPC197188
Formula: C14H16O9.H2O

Ingredient ID: NPC190514
Formula: C16H18O3

Ingredient ID: NPC189142
Formula: C21H20O11

Ingredient ID: NPC18074
Formula: C18H16O8

Ingredient ID: NPC174981
Formula: C15H16O2

Ingredient ID: NPC170821
Formula: C14H17NO7

Ingredient ID: NPC168799
Formula: C19H18O8

Ingredient ID: NPC167976
Formula: C16H18O9

Ingredient ID: NPC158537
Formula: C21H20O10

Ingredient ID: NPC156654
Formula: C7H6O4

Ingredient ID: NPC144801
Formula: C14H16O9.H2O

Ingredient ID: NPC1075
Formula: C9H8O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC1075 C9H8O4 (Z)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid 180.04 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
NPC144801 C14H16O9.H2O 328.0794321 -2.8389 2.01 -2.021 6 5 145.91 8 3 23 0
NPC156654 C7H6O4 Protocatechuic Acid 154.03 -1.1604 1.79 0.536 2 3 77.76 4 1 11 0
NPC158537 C21H20O10 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 432.1056468 -3.6314 2.67 0.459 6 6 166.14 4 4 31 1
NPC167976 C16H18O9 (1S,3R,4R,5R)-3-[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid 354.0950822 -2.1962 2.23 -0.447 7 6 164.75 5 2 25 1
NPC168799 C19H18O8 Methyl Rosmarinate 374.1 -1.6547 2.67 2.404 4 4 133.52 13 2 27 0
NPC170821 C14H17NO7 2-[4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetonitrile 311.1005019 -2.598 2.12 -0.898 6 5 143.4 4 2 22 0
NPC174981 C15H16O2 228.1150298 -0.1538 2.89 5.35 0 2 40.46 6 2 17 1
NPC18074 C18H16O8 (-)-Rosmarinic Acid 360.08 -1.9057 2.56 2.083 4 5 144.52 12 2 26 0
NPC189142 C21H20O11 Galuteolin 448.1 -4.0917 2.56 -0.075 6 7 186.37 11 4 32 1
NPC190514 C16H18O3 258.1255944 -0.2056 2.89 3.64 0 2 49.69 8 2 19 0
NPC197188 C14H16O9.H2O 3,4,8,10-Tetrahydroxy-2-(Hydroxymethyl)-9-Methoxy-3,4,4A,10B-Tetrahydro-2H-Pyrano[3,2-C]Isochromen-6-One;Hydrate 328.08 -2.8389 2.01 -2.021 6 5 145.91 8 3 23 0
NPC201562 C13H20O3 Blumenol A 224.14 0.7559 2.56 0.644 3 2 57.53 8 1 16 0
NPC202474 C12H14O4 Ethyl Ferulate 222.09 0.1106 2.34 1.975 2 1 55.76 8 1 16 0
NPC206221 C10H12O5 methyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate 212.0684735 -1.4644 2.01 0.443 3 3 86.99 4 1 15 0
NPC20791 C15H10O7 Quercetin 302.04 -2.8012 2.34 1.381 2 5 127.45 6 3 22 0
NPC210003 C21H20O10 Apigetrin 432.11 -3.6314 2.67 0.459 6 6 166.14 10 4 31 1
NPC231772 C16H12O5 Acacetin 284.07 -1.476 2.67 2.086 1 2 75.99 5 3 21 0
NPC238672 C14H16O9.H2O 328.0794321 -2.8389 2.01 -2.021 6 5 145.91 8 3 23 0
NPC264145 C8H8O5 Gallic Acid Methyl Ester 184.04 -1.3697 1.79 0.323 2 3 86.99 6 1 13 0
NPC268366 C13H14O9 314.063782 -3.2474 1.9 -1.682 6 6 156.91 7 3 22 1
NPC278102 C7H6O3 Protocatechualdehyde 138.03 -1.113 1.9 0.95 1 2 57.53 3 1 10 0
NPC279121 C15H10O6 Luteolin 286.05 -2.3448 2.45 1.033 1 4 107.22 5 3 21 0
NPC282923 C15H10O4 Chrysophanol 254.06 -0.8062 2.67 1.627 2 2 74.6 3 3 19 0
NPC294902 C9H8O4 Caffeic Acid 180.04 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
NPC301585 C14H28O2 Myristic Acid 228.21 -3.3217 2.78 6.432 2 1 37.3 14 0 16 2
NPC302857 C16H18O9 Chlorogenic Acid 354.1 -2.1962 2.23 -0.447 7 6 164.75 11 2 25 1
NPC34125 C30H62O triacontan-1-ol 438.4800666 -8.4614 4.65 15.645 1 1 20.23 28 0 31 2
NPC39360 C21H20O10 432.1056468 -3.6314 2.67 0.459 10 6 166.14 10 4 31 1
NPC50898 C15H10O5 Apigenin 270.05 -1.8845 2.56 1.567 1 3 86.99 4 3 20 0
NPC61 C18H16O8 Rosmarinic Acid 360.08 -1.9057 2.56 2.083 4 5 144.52 12 2 26 0
NPC6984 C8H8O2 4-Hydroxyacetophenone 136.05 -0.7142 2.12 1.335 1 1 37.3 3 1 10 0
NPC70744 C10H10O4 Ferulic Acid 194.06 -0.3908 2.12 1.231 2 2 66.76 6 1 14 0
NPC71074 C30H48O4 Corosolic Acid 472.36 1.2611 4.32 8.142 4 3 77.76 11 5 34 1
NPC85473 C21H20O10 5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 432.1056468 -3.6314 2.67 0.459 6 6 166.14 4 4 31 1

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