23 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: NPC988
Formula: C18H14O3

Ingredient ID: NPC94355
Formula: C18H24N2O3

Ingredient ID: NPC93241
Formula: C18H12O3

Ingredient ID: NPC85771
Formula: C18H12O4

Ingredient ID: NPC75154
Formula: C8H21N3

Ingredient ID: NPC71074
Formula: C30H48O4

Ingredient ID: NPC70741
Formula: C10H10O4

Ingredient ID: NPC66343
Formula: C4H9NO3

Ingredient ID: NPC43655
Formula: C6H7NO3S.Na

Ingredient ID: NPC309036
Formula: C20H30O

Ingredient ID: NPC301691
Formula: C19H18O4

Ingredient ID: NPC290249
Formula: C20H18O5

Ingredient ID: NPC289432
Formula: C18H14O3

Ingredient ID: NPC278102
Formula: C7H6O3

Ingredient ID: NPC265784
Formula: C20H28O2

Ingredient ID: NPC238861
Formula: C19H20O3

Ingredient ID: NPC163649
Formula: C19H22O3

Ingredient ID: NPC158371
Formula: C30H48O5

Ingredient ID: NPC156654
Formula: C7H6O4

Ingredient ID: NPC144010
Formula: C20H18O5

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC144010 C20H18O5 Methyl Tanshinonate 338.12 0.0805 3.11 2.756 4 0 73.58 5 4 25 0
NPC156654 C7H6O4 Protocatechuic Acid 154.03 -1.1604 1.79 0.536 2 3 77.76 4 1 11 0
NPC158371 C30H48O5 Euscaphic Acid 488.35 0.822 4.21 5.966 5 4 97.99 12 5 35 1
NPC163649 C19H22O3 (1R)-1,6,6-trimethyl-2,3a,7,8,9,11a-hexahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione 298.1568946 0.0192 3.22 4.4 3 0 43.37 0 4 22 0
NPC238861 C19H20O3 1,6,6-Trimethyl-2,7,8,9-Tetrahydro-1H-Naphtho[1,2-G][1]Benzofuran-10,11-Dione 296.14 0.0397 3.22 4.812 3 0 43.37 3 4 22 0
NPC265784 C20H28O2 (4aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one 300.2089301 0.7759 3.44 6.294 1 1 37.3 1 3 22 1
NPC278102 C7H6O3 Protocatechualdehyde 138.03 -1.113 1.9 0.95 1 2 57.53 3 1 10 0
NPC289432 C18H14O3 1,6-Dimethyl-1,2-Dihydronaphtho[1,2-G][1]Benzofuran-10,11-Dione 278.09 -0.0693 3.11 4.453 3 0 43.37 2 4 21 0
NPC290249 C20H18O5 methyl 1,6-dimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-6-carboxylate 338.1154237 0.0805 3.11 2.756 4 0 73.58 2 4 25 0
NPC301691 C19H18O4 (6S)-6-(hydroxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione 310.1205091 -0.3794 3.11 2.742 3 1 67.51 1 4 23 0
NPC309036 C20H30O 4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol 286.2296656 1.3229 3.55 8.211 0 1 20.23 1 3 21 1
NPC43655 C6H7NO3S.Na 172.0068391 -1.9692 1.57 -0.015 4 1 91.6 3 1 11 0
NPC66343 C4H9NO3 (2S)-2-azaniumyl-4-hydroxybutanoate 119.0582431 -1.8835 1.46 -3.598 4 3 83.55 3 0 8 0
NPC70741 C10H10O4 4-[(E)-2-carboxyethenyl]-2-methoxyphenolate 193.0500838 -0.7246 2.12 1.231 2 1 69.59 3 1 14 0
NPC71074 C30H48O4 Corosolic Acid 472.36 1.2611 4.32 8.142 4 3 77.76 11 5 34 1
NPC75154 C8H21N3 bis(4-azaniumylbutyl)azanium 162.1970228 -5.4373 2.01 0.884 0 3 71.89 8 0 11 0
NPC85771 C18H12O4 1-(hydroxymethyl)-6-methylnaphtho[1,2-g][1]benzofuran-10,11-dione 292.0735589 -0.4884 3 3.438 3 1 67.51 1 4 22 0
NPC93241 C18H12O3 Tanshinone I 276.08 0.6023 3.11 4.57 2 0 47.28 2 4 21 0
NPC94355 C18H24N2O3 (E)-4-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide 316.1786926 -0.3378 2.89 4.495 5 3 85.41 9 1 23 0
NPC988 C18H14O3 Dihydrotanshinone I 278.09 -0.0693 3.11 4.453 3 0 43.37 2 4 21 0

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