41 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.



13 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC96603
Formula: C20H23NO4

Ingredient ID: NPC9201
Formula: C20H20O6

Ingredient ID: NPC88640
Formula: C20H20O6

Ingredient ID: NPC83926
Formula: C16H25NO

Ingredient ID: NPC76145
Formula: C10H16

Ingredient ID: NPC76020
Formula: C19H34O8

Ingredient ID: NPC66922
Formula: C13H11NO3

Ingredient ID: NPC48075
Formula: C21H36O10

Ingredient ID: NPC45404
Formula: C8H6O4

Ingredient ID: NPC42391
Formula: C20H22O6

Ingredient ID: NPC34770
Formula: C14H13NO4

Ingredient ID: NPC305518
Formula: C10H12O4

Ingredient ID: NPC300505
Formula: C20H23NO4

Ingredient ID: NPC296025
Formula: C15H28O10

Ingredient ID: NPC276664
Formula: C16H28O7

Ingredient ID: NPC27577
Formula: C19H34O8

Ingredient ID: NPC271749
Formula: C25H28O6

Ingredient ID: NPC271463
Formula: C18H27NO

Ingredient ID: NPC267340
Formula: C18H27NO

Ingredient ID: NPC264784
Formula: C18H26O10

Ingredient ID: NPC255042
Formula: C10H18O

Ingredient ID: NPC241473
Formula: C20H23NO4

Ingredient ID: NPC239540
Formula: C9H10O4

Ingredient ID: NPC237058
Formula: C10H18O2

Ingredient ID: NPC236536
Formula: C16H25NO

Ingredient ID: NPC22098
Formula: C10H18O

Ingredient ID: NPC216630
Formula: C16H32O2

Ingredient ID: NPC210560
Formula: C10H20O

Ingredient ID: NPC210516
Formula: C21H25NO4

Ingredient ID: NPC198629
Formula: C12H14O5

Ingredient ID: NPC193666
Formula: C20H20O6

Ingredient ID: NPC184014
Formula: C16H25NO2

Ingredient ID: NPC152425
Formula: C16H28O7

Ingredient ID: NPC142319
Formula: C12H16O7

Ingredient ID: NPC13489
Formula: C25H28O6

Ingredient ID: NPC132669
Formula: C16H25NO2

Ingredient ID: NPC131885
Formula: C13H11NO3

Ingredient ID: NPC13143
Formula: C12H22O6

Ingredient ID: NPC131172
Formula: C16H30O6

Ingredient ID: NPC123526
Formula: C20H20O6

Ingredient ID: NPC101153
Formula: C20H20O6

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC101153 C20H20O6 4-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenol 356.1259884 -1.8128 3 2.13 2 1 66.38 3 5 26 0
NPC123526 C20H20O6 Piperitol 356.13 -1.8128 3 2.13 2 1 66.38 5 5 26 0
NPC131172 C16H30O6 (2R,3R,4S,5S,6R)-2-[(3S)-3,7-dimethyloct-6-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 318.2042387 -0.2828 2.56 2.178 6 4 99.38 8 1 22 0
NPC13143 C12H22O6 262.1416384 -2.2525 2.12 0.365 6 4 99.38 11 1 18 0
NPC131885 C13H11NO3 Gamma-Fagarine 229.07 -0.2577 2.45 2.068 1 0 44.49 4 3 17 0
NPC132669 C16H25NO2 Hydroxy-Beta-Sanshool 263.19 2.5548 2.89 4.26 3 2 52.82 13 0 19 0
NPC13489 C25H28O6 424.1885886 0.0612 3.55 3.85 2 0 55.38 6 5 31 0
NPC142319 C12H16O7 Arbutin 272.09 -2.6675 2.01 -0.238 5 5 119.61 8 2 19 0
NPC152425 C16H28O7 (2S,3R,4S,5S,6R)-2-[(3S,6S)-6-ethenyl-2,2,6-trimethyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 332.1835032 -0.9879 2.45 0.451 7 4 108.61 4 2 23 0
NPC184014 C16H25NO2 Hydroxy-Alpha-Sanshool 263.19 2.5548 2.89 4.26 3 2 52.82 13 0 19 0
NPC193666 C20H20O6 Pluviatilol 356.13 -1.8128 3 2.13 2 1 66.38 5 5 26 0
NPC198629 C12H14O5 238.0841235 -0.1916 2.23 1.108 2 1 64.99 5 1 17 0
NPC210516 C21H25NO4 (6aR)-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium-11-ol 356.1861833 -1.5758 3.22 1.527 0 1 47.92 3 4 26 0
NPC210560 C10H20O 156.1514153 1.4641 2.45 3.286 1 1 20.23 9 0 11 0
NPC216630 C16H32O2 Palmitic Acid 256.24 -3.8977 3 7.57 2 1 37.3 16 0 18 2
NPC22098 C10H18O 154.1357652 2.0432 2.45 3.591 1 0 17.07 8 0 11 0
NPC236536 C16H25NO (2E,6Z,8E,10E)-N-(2-methylpropyl)dodeca-2,6,8,10-tetraenamide 247.1936144 2.9939 3 5.17 2 1 32.59 8 0 18 1
NPC237058 C10H18O2 (3R)-3,7-dimethyloct-6-enoic acid 170.1306798 1.9958 2.34 3.177 2 1 37.3 5 0 12 0
NPC239540 C9H10O4 3-hydroxy-4,5-dimethoxybenzaldehyde 182.0579088 -0.7563 2.01 0.596 1 1 55.76 3 1 13 0
NPC241473 C20H23NO4 341.1627082 -2.3181 3.11 1.008 0 1 61.75 2 4 25 0
NPC255042 C10H18O Geraniol 154.14 2.3397 2.45 2.524 1 1 20.23 8 0 11 0
NPC264784 C18H26O10 402.152597 -3.6043 2.34 -0.036 10 6 158.3 13 3 28 1
NPC267340 C18H27NO (2E,4E,8E,10E,12E)-N-Isobutyl-2,4,8,10,12-Tetradecapentaenamide 273.21 3.4617 3.22 5.864 2 1 32.59 13 0 20 1
NPC271463 C18H27NO (2E,4E,8Z,10E,12E)-N-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide 273.2092645 3.4617 3.22 5.864 2 1 32.59 9 0 20 1
NPC271749 C25H28O6 5-[(3S,3aR,6S,6aR)-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole 424.1885886 0.0612 3.55 3.85 2 0 55.38 6 5 31 0
NPC27577 C19H34O8 (2R,3R,4S,5S,6R)-2-[(1S,4S,5R)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,3,5-trimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 390.225368 -1.6288 2.67 0.139 8 6 139.84 5 2 27 1
NPC276664 C16H28O7 (2S,3R,4S,5S,6R)-2-[2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol 332.1835032 -0.9879 2.45 0.451 7 4 108.61 5 2 23 0
NPC296025 C15H28O10 (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-methylpropoxy)oxane-3,4,5-triol 368.1682471 -3.0314 2.01 -1.866 10 6 158.3 7 2 25 1
NPC300505 C20H23NO4 (6aR)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium-1,11-diol 342.1705332 -1.9843 3.11 1.008 0 2 58.92 2 4 25 0
NPC305518 C10H12O4 Xanthoxylin 196.07 -0.8178 2.12 0.876 1 1 55.76 7 1 14 0
NPC34770 C14H13NO4 Skimmianine 259.08 -0.3095 2.45 1.624 1 0 53.72 6 3 19 0
NPC42391 C20H22O6 4-[(2S,3R,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol 358.1416384 -1.7474 3 2.142 2 2 77.38 5 4 26 0
NPC45404 C8H6O4 Piperonylic Acid 166.03 -0.5425 1.9 1.072 2 1 55.76 2 2 12 0
NPC48075 C21H36O10 448.2308474 -0.6864 2.67 0.023 10 6 158.3 10 2 31 1
NPC66922 C13H11NO3 7,8-dimethoxyfuro[2,3-b]quinoline 229.0738932 -0.2577 2.45 2.068 1 0 44.49 2 3 17 0
NPC76020 C19H34O8 (2R,3R,4S,5S,6R)-2-[(E,2S)-4-[(1S,4S,6R)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]but-3-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 390.225368 -1.6288 2.67 0.139 8 6 139.84 5 2 27 1
NPC76145 C10H16 Limonene 136.13 2.1424 2.56 3.729 0 0 0 3 1 10 0
NPC83926 C16H25NO (2E,6E,8E,10E)-N-(2-methylpropyl)dodeca-2,6,8,10-tetraenamide 247.1936144 2.9939 3 5.17 2 1 32.59 8 0 18 1
NPC88640 C20H20O6 356.1259884 -1.8128 3 2.13 2 1 66.38 5 5 26 0
NPC9201 C20H20O6 4-[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenol 356.1259884 -1.8128 3 2.13 2 1 66.38 3 5 26 0
NPC96603 C20H23NO4 342.1705332 -1.9843 3.11 1.008 0 2 58.92 8 4 25 0

Download Data

All data can be downloaded by:

   → Selecting data type in the below download table
   → Then click the download button.
Data Section
Select to Download
1. General Information & structure data (InChi, InChiKey, SMILES)  
2. Physico-chemical Properties