25 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: NPC60288
Formula: C15H24

Ingredient ID: NPC57429
Formula: C4H7NO3

Ingredient ID: NPC49103
Formula: C8H17NO2

Ingredient ID: NPC43728
Formula: C15H26O

Ingredient ID: NPC302408
Formula: C21H22O8

Ingredient ID: NPC292996
Formula: C5H12N2O2

Ingredient ID: NPC258130
Formula: C35H56N2O6

Ingredient ID: NPC254474
Formula: C6H15N5O

Ingredient ID: NPC231738
Formula: C15H24

Ingredient ID: NPC222515
Formula: C18H18O3

Ingredient ID: NPC215932
Formula: C20H20O7

Ingredient ID: NPC209054
Formula: C11H14N2O2

Ingredient ID: NPC20790
Formula: C15H10O7

Ingredient ID: NPC202600
Formula: C5H9NO4

Ingredient ID: NPC196776
Formula: C30H50

Ingredient ID: NPC185755
Formula: C6H12N2O4S2

Ingredient ID: NPC18188
Formula: C4H9NO2

Ingredient ID: NPC174246
Formula: C6H13NO2

Ingredient ID: NPC16157
Formula: C15H24O

Ingredient ID: NPC158934
Formula: C18H16O4

Ingredient ID: NPC152451
Formula: C5H11NO2S

Ingredient ID: NPC142860
Formula: C27H32O14

Ingredient ID: NPC138925
Formula: C20H40O

Ingredient ID: NPC11433
Formula: C5H9NO2

Ingredient ID: NPC106551
Formula: C9H11NO3

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC106551 C9H11NO3 Tyrosine 181.07 -1.5447 2.01 -1.577 3 3 83.55 6 1 13 0
NPC11433 C5H9NO2 L-Proline 115.06 -1.3817 1.68 -0.185 3 2 49.33 2 1 8 0
NPC138925 C20H40O (Z,7R,11R)-3,7,11,15-tetra(methyl)hexadec-2-en-1-ol 296.3079159 1.7816 3.55 8.949 1 1 20.23 13 0 21 2
NPC142860 C27H32O14 Naringin 580.18 -4.8082 2.89 -1.045 10 8 225.06 15 5 41 1
NPC152451 C5H11NO2S 149.0510496 -0.7303 1.57 -1.853 3 2 88.62 7 0 9 0
NPC158934 C18H16O4 296.104859 -0.6471 3 3.334 1 2 62.83 4 3 22 0
NPC16157 C15H24O 220.1827154 1.9144 3 4.607 1 0 12.53 0 3 16 0
NPC174246 C6H13NO2 131.0946287 -1.2501 1.79 -1.6 3 2 63.32 7 0 9 0
NPC18188 C4H9NO2 Gamma-Aminobutyric Acid 103.06 -1.2313 1.57 -0.668 3 2 63.32 5 0 7 0
NPC185755 C6H12N2O4S2 Cystine 240.02 -1.0892 1.24 -3.312 6 4 177.24 11 0 14 0
NPC196776 C30H50 (3R,8R,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene 410.3912516 2.7031 4.76 13.664 0 0 0 5 4 30 1
NPC202600 C5H9NO4 [(1S)-1,3-dicarboxypropyl]azanium 148.0609828 -2.3338 1.46 -0.649 4 3 102.24 4 0 10 0
NPC20790 C15H10O7 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-olate 301.0348276 -3.135 2.34 1.381 2 4 130.28 1 3 22 0
NPC209054 C11H14N2O2 (2S)-2-amino-3-[(3S)-2,3-dihydro-1H-indol-3-yl]propanoic acid 206.1055277 -1.6061 2.23 -1.021 4 3 75.35 3 2 15 0
NPC215932 C20H20O7 Sinensetin 372.12 -0.7626 2.89 2.236 1 0 72.45 11 3 27 0
NPC222515 C18H18O3 282.1255944 -0.3694 3.11 3.731 1 2 53.6 3 3 21 0
NPC231738 C15H24 (4E)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene 204.1878008 3.2289 3.11 6.044 0 0 0 0 2 15 1
NPC254474 C6H15N5O [(4S)-5-amino-4-azaniumyl-5-oxopentyl]-(diaminomethylidene)azanium 175.1433102 -4.2953 1.46 -0.359 4 6 135.36 6 0 12 1
NPC258130 C35H56N2O6 600.4138375 1.4363 4.43 7.362 8 5 142.94 18 5 43 1
NPC292996 C5H12N2O2 2,5-bis(azaniumyl)pentanoate 133.0977027 -3.1551 1.57 -2.773 3 3 90.96 4 0 9 0
NPC302408 C21H22O8 5,6,7,3',4',5'-Hexamethoxyflavone 402.13 -0.8144 2.89 1.792 1 0 81.68 13 3 29 0
NPC43728 C15H26O (3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol 222.1983655 3.7014 3 4.29 1 1 20.23 7 0 16 0
NPC49103 C8H17NO2 (2S)-2-(dimethylamino)-4-methylpentanoic acid 159.1259288 0.6494 2.01 1.406 3 1 40.54 4 0 11 0
NPC57429 C4H7NO3 (3S)-3-amino-4-oxobutanoic acid 117.0425931 -1.3044 1.46 -1.127 4 2 80.39 3 0 8 0
NPC60288 C15H24 204.1878008 4.4725 3.11 6.136 0 0 0 10 0 15 1

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