36 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.



5 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC99170
Formula: C14H10N2O2

Ingredient ID: NPC88573
Formula: C11H9ClN2O2

Ingredient ID: NPC71540
Formula: C15H12N2O3

Ingredient ID: NPC59506
Formula: C19H32O2

Ingredient ID: NPC59108
Formula: C13H8N2O4

Ingredient ID: NPC49561
Formula: C10H5Cl2FN2O2

Ingredient ID: NPC37802
Formula: C17H28O2

Ingredient ID: NPC36168
Formula: C12H8N2O

Ingredient ID: NPC29128
Formula: C16H14N2O4

Ingredient ID: NPC289574
Formula: C7H6ClNO2

Ingredient ID: NPC288202
Formula: C12H8N2O2

Ingredient ID: NPC287823
Formula: C14H8N2O7

Ingredient ID: NPC285635
Formula: C13H10N2O

Ingredient ID: NPC271638
Formula: C17H16N2O5

Ingredient ID: NPC265024
Formula: C11H16O2

Ingredient ID: NPC26211
Formula: C13H8N2O3

Ingredient ID: NPC261178
Formula: C11H16O3

Ingredient ID: NPC258773
Formula: C14H12N2O2

Ingredient ID: NPC256268
Formula: C14H8N2O4

Ingredient ID: NPC251949
Formula: C16H12N2O4

Ingredient ID: NPC219848
Formula: C13H8N2O2

Ingredient ID: NPC213345
Formula: C10H8ClNO2

Ingredient ID: NPC209217
Formula: C15H14N2O3

Ingredient ID: NPC192698
Formula: C19H18N2O7

Ingredient ID: NPC186994
Formula: C15H12N2O3

Ingredient ID: NPC178218
Formula: C13H8N2O4

Ingredient ID: NPC170656
Formula: C16H14N2O4

Ingredient ID: NPC167647
Formula: C15H12N2O3

Ingredient ID: NPC157925
Formula: C10H5Cl3N2O2

Ingredient ID: NPC1527
Formula: C13H10N2O

Ingredient ID: NPC147398
Formula: C13H8N2O3

Ingredient ID: NPC146394
Formula: C25H16N4O2

Ingredient ID: NPC140751
Formula: C10H8ClNO2

Ingredient ID: NPC131383
Formula: C12H8N2O3

Ingredient ID: NPC115049
Formula: C10H6Cl2N2O2

Ingredient ID: NPC105363
Formula: C13H8N2O5

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC105363 C13H8N2O5 272.0433214 -1.6207 2.12 1.797 4 4 123.77 1 3 20 0
NPC115049 C10H6Cl2N2O2 Pyrrolnitrin 255.98 1.7283 1.9 2.865 1 1 58.93 5 2 16 0
NPC131383 C12H8N2O3 228.0534921 -1.3809 2.23 1.148 2 3 86.47 0 3 17 0
NPC140751 C10H8ClNO2 2-(7-chloroindol-1-yl)acetic acid 209.0243562 0.3159 2.12 1.956 3 1 42.23 2 2 14 0
NPC146394 C25H16N4O2 404.1273258 -0.4644 3.55 4.816 4 2 92.02 2 6 31 0
NPC147398 C13H8N2O3 240.0534921 -0.7001 2.34 2.865 4 2 83.31 1 3 18 0
NPC1527 C13H10N2O 1-Methoxyphenazine 210.08 -0.0518 2.56 3.164 2 0 35.01 2 3 16 0
NPC157925 C10H5Cl3N2O2 2,3-dichloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole 289.9416604 2.262 1.79 3.346 1 1 58.93 2 2 17 0
NPC167647 C15H12N2O3 methyl 6-methoxyphenazine-1-carboxylate 268.0847922 -0.0406 2.56 2.722 4 0 61.31 3 3 20 0
NPC170656 C16H14N2O4 methyl 2,6-dimethoxyphenazine-1-carboxylate 298.0953569 -0.0924 2.56 2.832 4 0 70.54 4 3 22 0
NPC178218 C13H8N2O4 256.0484067 -1.1604 2.23 1.902 4 3 103.54 1 3 19 0
NPC186994 C15H12N2O3 methyl 2-methoxyphenazine-1-carboxylate 268.0847922 -0.0406 2.56 3.276 4 0 61.31 3 3 20 0
NPC192698 C19H18N2O7 dimethyl 2,3,7-trimethoxyphenazine-1,6-dicarboxylate 386.1114009 -0.133 2.56 1.946 6 0 106.07 7 3 28 0
NPC209217 C15H14N2O3 2,3,7-trimethoxyphenazine 270.1004423 -0.1554 2.56 2.276 2 0 53.47 3 3 20 0
NPC213345 C10H8ClNO2 2-(7-chloro-1H-indol-3-yl)acetic acid 209.0243562 0.1189 2.12 1.564 3 2 53.09 2 2 14 0
NPC219848 C13H8N2O2 Phenazine-1-Carboxylic Acid 224.06 -0.2398 2.45 2.845 4 1 63.08 2 3 17 0
NPC251949 C16H12N2O4 dimethyl phenazine-1,6-dicarboxylate 296.0797069 0.0224 2.56 2.724 6 0 78.38 4 3 22 0
NPC256268 C14H8N2O4 268.0484067 -0.4796 2.34 2.082 6 2 100.38 4 3 20 0
NPC258773 C14H12N2O2 2,3-Dimethoxyphenazine 240.09 -0.1036 2.56 2.72 2 0 44.24 4 3 18 0
NPC261178 C11H16O3 196.1099444 -0.0092 2.34 2.719 3 1 46.53 4 1 14 0
NPC26211 C13H8N2O3 240.0534921 -0.7001 2.34 1.882 4 2 83.31 1 3 18 0
NPC265024 C11H16O2 (2R)-4-[(Z)-hex-1-enyl]-2-methyl-2H-furan-5-one 180.1150298 0.3807 2.45 3.604 2 0 26.3 4 1 13 0
NPC271638 C17H16N2O5 methyl 2,3,4-trimethoxyphenazine-1-carboxylate 328.1059216 -0.1442 2.56 2.388 4 0 79.77 5 3 24 0
NPC285635 C13H10N2O 2-Methoxyphenazine 210.08 -0.0518 2.56 3.164 2 0 35.01 2 3 16 0
NPC287823 C14H8N2O7 316.0331506 -1.8605 2.01 1.034 6 5 161.07 2 3 23 0
NPC288202 C12H8N2O2 212.0585775 -0.9206 2.34 2.111 2 2 66.24 0 3 16 0
NPC289574 C7H6ClNO2 2-amino-3-chlorobenzoic acid 171.0087061 -0.2454 1.79 1.528 3 2 63.32 1 1 11 0
NPC29128 C16H14N2O4 methyl 2,3-dimethoxyphenazine-1-carboxylate 298.0953569 -0.0924 2.56 2.832 4 0 70.54 4 3 22 0
NPC36168 C12H8N2O 196.0636629 -0.4603 2.45 2.645 2 1 46.01 1 3 15 0
NPC37802 C17H28O2 264.2089301 -2.7092 3.11 6.426 0 2 40.46 13 1 19 1
NPC49561 C10H5Cl2FN2O2 3-chloro-4-(3-chloro-4-fluoro-2-nitrophenyl)-1H-pyrrole 273.971211 2.208 1.79 2.824 1 1 58.93 2 2 17 0
NPC59108 C13H8N2O4 256.0484067 -1.1604 2.23 2.331 4 3 103.54 1 3 19 0
NPC59506 C19H32O2 292.2402303 -3.2852 3.33 7.564 0 2 40.46 11 1 21 2
NPC71540 C15H12N2O3 methyl 4-methoxyphenazine-1-carboxylate 268.0847922 -0.0406 2.56 2.722 4 0 61.31 3 3 20 0
NPC88573 C11H9ClN2O2 4-(2-amino-3-chlorophenyl)-1H-pyrrole-2-carboxylic acid 236.0352552 -0.6658 2.12 -0.689 4 3 79.11 2 2 16 0
NPC99170 C14H10N2O2 methyl phenazine-1-carboxylate 238.0742276 0.0112 2.56 3.166 4 0 52.08 2 3 18 0

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