39 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.



9 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC93033
Formula: C29H46O

Ingredient ID: NPC84666
Formula: C5H7NO2

Ingredient ID: NPC7314
Formula: C15H24

Ingredient ID: NPC49389
Formula: C18H32O

Ingredient ID: NPC47152
Formula: C20H12O4

Ingredient ID: NPC44466
Formula: C20H26O3

Ingredient ID: NPC36108
Formula: C10H12O2

Ingredient ID: NPC314192
Formula: C23H26N2O2

Ingredient ID: NPC310563
Formula: C20H24O2

Ingredient ID: NPC301585
Formula: C14H28O2

Ingredient ID: NPC28779
Formula: C20H36O2

Ingredient ID: NPC283823
Formula: C8H8O4

Ingredient ID: NPC281020
Formula: C9H10O4

Ingredient ID: NPC258492
Formula: C14H10

Ingredient ID: NPC246039
Formula: C20H24O3

Ingredient ID: NPC236579
Formula: C18H36O2

Ingredient ID: NPC23155
Formula: C19H38O4

Ingredient ID: NPC223695
Formula: C18H32O2

Ingredient ID: NPC208075
Formula: C8H8O

Ingredient ID: NPC206800
Formula: C9H8O2

Ingredient ID: NPC205673
Formula: C32H52O2

Ingredient ID: NPC201859
Formula: C7H11NO3

Ingredient ID: NPC197164
Formula: C30H50O

Ingredient ID: NPC180058
Formula: C8H8O3

Ingredient ID: NPC179694
Formula: C15H30OS

Ingredient ID: NPC167072
Formula: C30H50

Ingredient ID: NPC161193
Formula: C29H48O

Ingredient ID: NPC160858
Formula: C22H28O7

Ingredient ID: NPC158933
Formula: C20H24O2

Ingredient ID: NPC158280
Formula: C9H12O3

Ingredient ID: NPC154185
Formula: C15H30O2

Ingredient ID: NPC149184
Formula: C20H40O2

Ingredient ID: NPC142753
Formula: C35H60O6

Ingredient ID: NPC140951
Formula: C19H32O3

Ingredient ID: NPC138925
Formula: C20H40O

Ingredient ID: NPC137167
Formula: C28H48O

Ingredient ID: NPC129206
Formula: C30H50O

Ingredient ID: NPC111897
Formula: C12H22O11

Ingredient ID: NPC107482
Formula: C6H6O3

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC107482 C6H6O3 5-Hydroxymethyl-Furfural 126.03 -0.7952 1.79 0.422 2 1 50.44 3 1 9 0
NPC111897 C12H22O11 (2R,3S,4R,5S,6R)-2-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 342.1162115 -4.3105 1.57 -3.277 11 8 189.53 5 2 23 2
NPC129206 C30H50O (3S,4aS,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol 426.3861662 3.4636 4.65 11.352 1 1 20.23 0 5 31 1
NPC137167 C28H48O (8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 400.3705162 2.8089 4.43 12.391 1 1 20.23 5 4 29 1
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
NPC140951 C19H32O3 (Z,2S)-2-[(1R)-1-hydroxyprop-2-ynyl]hexadec-9-enoic acid 308.2351449 -1.1484 3.22 6.586 3 2 57.53 14 0 22 2
NPC142753 C35H60O6 (3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S)-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]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 576.4389896 -0.4469 4.65 10.487 6 4 99.38 9 5 41 1
NPC149184 C20H40O2 Elcosanoic Acid 312.3 -5.0497 3.44 9.846 2 1 37.3 20 0 22 2
NPC154185 C15H30O2 pentadecanoate 241.2167552 -4.2875 2.89 6.52 2 0 40.13 13 0 17 2
NPC158280 C9H12O3 (3,4-dimethoxyphenyl)methanol 168.0786442 -0.5523 2.12 0.888 1 1 38.69 3 1 12 0
NPC158933 C20H24O2 296.17763 2.2422 3.44 4.598 1 1 37.3 0 4 22 0
NPC160858 C22H28O7 [(4S,4aS,5S,8S,8aS)-8-acetyloxy-8a-hydroxy-3,4a,5-trimethyl-9-oxo-5,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate 404.1835032 0.9327 3.11 2.813 6 1 103.04 5 3 29 0
NPC161193 C29H48O (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 412.3705162 2.3613 4.54 10.629 1 1 20.23 5 4 30 1
NPC167072 C30H50 (6Z,10E,14Z,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene 410.3912516 8.5524 4.76 11.482 0 0 0 15 0 30 2
NPC179694 C15H30OS pentadecanethioic S-acid 258.2017366 -2.9824 2.89 7.418 1 0 55.87 13 0 17 2
NPC180058 C8H8O3 2,3,6-trideuterio-4-hydroxy-5-methoxybenzaldehyde 152.0473441 -0.7045 2.01 1.04 1 1 46.53 2 1 11 0
NPC197164 C30H50O (1R,3aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol 426.3861662 3.2313 4.65 11.901 1 1 20.23 1 5 31 1
NPC201859 C7H11NO3 ethyl 5-oxopyrrolidine-2-carboxylate 157.0738932 -0.2303 1.79 0.097 4 1 58.89 3 1 11 0
NPC205673 C32H52O2 (4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl) acetate 468.3967309 3.3907 4.76 12.286 2 0 26.3 2 5 34 1
NPC206800 C9H8O2 Cinnamic Acid 148.05 0.1213 2.23 3.904 2 1 37.3 3 1 11 0
NPC208075 C8H8O 120.0575149 -0.1576 2.23 3.494 1 0 17.07 2 1 9 0
NPC223695 C18H32O2 (9E,12E)-octadeca-9,12-dienoate 279.2324052 -1.6263 3.22 7.384 2 0 40.13 14 0 20 2
NPC23155 C19H38O4 1,3-Dihydroxypropan-2-Yl Hexadecanoate 330.28 -4.6968 3.11 6.51 4 2 66.76 21 0 23 2
NPC236579 C18H36O2 284.2715304 -3.3963 3.22 8.314 2 0 26.3 18 0 20 2
NPC246039 C20H24O3 312.1725446 2.4795 3.33 2.589 3 0 43.37 0 3 23 0
NPC258492 C14H10 178.0782503 0 3 7.814 0 0 0 0 3 14 1
NPC281020 C9H10O4 Homovanillic Acid 182.06 -0.7171 2.01 0.618 2 2 66.76 6 1 13 0
NPC283823 C8H8O4 168.0422587 -0.7519 1.9 0.626 2 2 66.76 5 1 12 0
NPC28779 C20H36O2 308.2715304 -0.4471 3.44 8.609 2 0 26.3 18 0 22 2
NPC301585 C14H28O2 Myristic Acid 228.21 -3.3217 2.78 6.432 2 1 37.3 14 0 16 2
NPC310563 C20H24O2 (2S,6aS)-2,5-dimethyl-10-methylidene-7-prop-1-en-2-yl-3,6a,7,8,9,10a-hexahydro-2H-benzo[h]azulene-1,4-dione 296.17763 2.9929 3.44 2.896 2 0 34.14 1 3 22 0
NPC314192 C23H26N2O2 Solifenacin 362.2 -0.7517 3.55 6.131 4 0 32.78 4 3 27 1
NPC36108 C10H12O2 Isoeugenol 164.08 0.3952 2.34 2.805 0 1 29.46 5 1 12 0
NPC44466 C20H26O3 314.1881947 1.5712 3.33 2.493 3 0 51.21 0 3 23 0
NPC47152 C20H12O4 316.07 -0.6512 3.22 3.957 1 1 55.76 1 5 24 0
NPC49389 C18H32O (9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol 264.2453156 -0.6296 3.33 7.647 1 1 20.23 13 0 19 2
NPC7314 C15H24 204.1878008 1.3908 3.11 6.544 0 0 0 1 3 15 1
NPC84666 C5H7NO2 (2S)-2-hydroxy-4-methyl-1,2-dihydropyrrol-5-one 113.0476785 -0.0506 1.68 -0.331 3 2 52.82 0 1 8 0
NPC93033 C29H46O (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one 410.3548661 2.4882 4.54 11.259 1 0 17.07 6 4 30 1

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