38 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.



12 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC94637
Formula: C9H10O3

Ingredient ID: NPC88839
Formula: C4H10O

Ingredient ID: NPC88566
Formula: C10H14

Ingredient ID: NPC8416
Formula: C7H10O

Ingredient ID: NPC78500
Formula: C7H6O

Ingredient ID: NPC72258
Formula: C5H8O

Ingredient ID: NPC61665
Formula: C9H20O

Ingredient ID: NPC52403
Formula: C5H12O

Ingredient ID: NPC49151
Formula: C9H18O

Ingredient ID: NPC33489
Formula: C9H16O

Ingredient ID: NPC303893
Formula: C8H13NO

Ingredient ID: NPC301690
Formula: C32H38O20

Ingredient ID: NPC301540
Formula: C8H16O

Ingredient ID: NPC295442
Formula: C8H16O

Ingredient ID: NPC287331
Formula: C10H18O

Ingredient ID: NPC287191
Formula: C13H26

Ingredient ID: NPC286627
Formula: C6H14O

Ingredient ID: NPC279895
Formula: C7H16O

Ingredient ID: NPC279300
Formula: C7H12O

Ingredient ID: NPC266539
Formula: C12H24

Ingredient ID: NPC266144
Formula: C14H28

Ingredient ID: NPC257124
Formula: C10H12O2

Ingredient ID: NPC255042
Formula: C10H18O

Ingredient ID: NPC250539
Formula: C10H16O

Ingredient ID: NPC235797
Formula: C3H4O

Ingredient ID: NPC234961
Formula: C17H26O2

Ingredient ID: NPC230221
Formula: C6H10O

Ingredient ID: NPC226794
Formula: C8H9NO2

Ingredient ID: NPC223118
Formula: C16H29NO2

Ingredient ID: NPC211453
Formula: C4H8O

Ingredient ID: NPC197356
Formula: C6H12O

Ingredient ID: NPC190797
Formula: C5H12O

Ingredient ID: NPC178939
Formula: C19H33NO2

Ingredient ID: NPC163556
Formula: C8H18O

Ingredient ID: NPC147054
Formula: C8H16O2

Ingredient ID: NPC123357
Formula: C9H16O2

Ingredient ID: NPC108779
Formula: C8H8O

Ingredient ID: NPC108218
Formula: C8H10O

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC108218 C8H10O 122.0731649 -0.1931 2.23 3.189 1 1 20.23 3 1 9 0
NPC108779 C8H8O 1-deuterio-2-phenylethanone 120.0575149 -0.1576 2.23 3.494 1 0 17.07 2 1 9 0
NPC123357 C9H16O2 156.1150298 -0.0503 2.23 2.466 2 0 26.3 8 0 11 0
NPC147054 C8H16O2 144.1150298 -1.5371 2.12 3.062 2 0 26.3 8 0 10 0
NPC163556 C8H18O Octanol 130.14 -2.1254 2.23 3.127 1 1 20.23 8 0 9 0
NPC178939 C19H33NO2 (6Z,8S,8aS)-6-[(E,2S,6R)-6-hydroxy-2,5-dimethyloct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol 307.2511293 0.0603 3.22 2.29 3 2 43.7 5 2 22 0
NPC190797 C5H12O 88.088815 0.1135 1.9 1.039 1 1 20.23 5 0 6 0
NPC197356 C6H12O 100.088815 -0.5056 2.01 1.473 1 1 20.23 5 0 7 0
NPC211453 C4H8O Butanone 72.06 -0.1678 1.79 0.438 1 0 17.07 3 0 5 0
NPC223118 C16H29NO2 267.2198292 -1.2699 2.89 3.301 3 2 43.7 4 2 19 0
NPC226794 C8H9NO2 Methyl Anthranilate 151.06 -0.7387 2.01 1.964 3 1 52.32 4 1 11 0
NPC230221 C6H10O hexylidyneoxidanium 98.07316494 -0.9294 2.01 1.982 0 0 0 3 0 7 0
NPC234961 C17H26O2 3,7-dimethyl-8-phenylmethoxyoct-2-en-1-ol 262.1932801 0.498 3.11 4.832 2 1 29.46 9 1 19 0
NPC235797 C3H4O Acrolein 56.03 0.4084 1.68 0.293 1 0 17.07 1 0 4 0
NPC250539 C10H16O 152.1201151 1.2772 2.45 2.564 1 0 17.07 4 1 11 0
NPC255042 C10H18O Geraniol 154.14 2.3397 2.45 2.524 1 1 20.23 8 0 11 0
NPC257124 C10H12O2 Eugenol 164.08 0.5166 2.34 2.484 0 1 29.46 5 1 12 0
NPC266144 C14H28 196.2191009 -1.8656 3 7.94 0 0 0 12 0 14 2
NPC266539 C12H24 168.1878008 -1.2896 2.78 6.802 0 0 0 10 0 12 1
NPC279300 C7H12O 112.088815 -0.1004 2.12 2.419 1 0 17.07 5 0 8 0
NPC279895 C7H16O 116.1201151 -1.8374 2.12 2.558 1 1 20.23 7 0 8 0
NPC286627 C6H14O (2S)-hexan-2-ol 102.1044651 -1.2721 2.01 1.88 1 1 20.23 3 0 7 0
NPC287191 C13H26 182.2034508 -1.5776 2.89 7.371 0 0 0 11 0 13 1
NPC287331 C10H18O Eucalyptol 154.14 1.3109 2.45 2.595 1 0 9.23 3 0 11 0
NPC295442 C8H16O 128.1201151 -0.9556 2.23 2.398 1 0 17.07 7 0 9 0
NPC301540 C8H16O 6-methylhept-5-en-2-ol 128.1201151 1.0644 2.23 2.1 1 1 20.23 3 0 9 0
NPC301690 C32H38O20 3-[(2S,4S,5S)-6-[[(2R,3S,5R)-4,5-dihydroxy-6-methyl-3-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one 742.1956436 -7.3752 2.78 -2.482 15 12 324.44 8 6 52 2
NPC303893 C8H13NO (NE)-N-[(1-methylcyclohex-3-en-1-yl)methylidene]hydroxylamine 139.099714 1.2287 2.12 2.175 0 1 32.59 1 1 10 0
NPC33489 C9H16O 2-Nonenal 140.12 -0.6764 2.34 3.557 1 0 17.07 7 0 10 0
NPC49151 C9H18O 142.1357652 -1.8343 2.34 4.001 1 0 17.07 8 0 10 0
NPC52403 C5H12O 1-Pentanol 88.09 -1.2614 1.9 1.42 1 1 20.23 5 0 6 0
NPC61665 C9H20O 144.1514153 1.2741 2.34 3.611 1 1 20.23 9 0 10 0
NPC72258 C5H8O Pentenal 84.06 -0.068 1.9 1.281 1 0 17.07 3 0 6 0
NPC78500 C7H6O Benzaldehyde 106.04 -0.1924 2.12 3.08 1 0 17.07 1 1 8 0
NPC8416 C7H10O 110.0731649 0.3998 2.12 1.975 1 0 17.07 4 0 8 0
NPC88566 C10H14 134.1095504 1.2149 2.56 5.785 0 0 0 4 1 10 1
NPC88839 C4H10O Isobutanol 74.07 0.1242 1.79 0.579 1 1 20.23 4 0 5 0
NPC94637 C9H10O3 166.0629942 -0.1987 2.12 3.008 2 1 46.53 5 1 12 0

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