32 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.



6 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC82881
Formula: C26H34O5

Ingredient ID: NPC76336
Formula: C10H8O4

Ingredient ID: NPC56446
Formula: C18H23NO6

Ingredient ID: NPC52086
Formula: C11H10O5

Ingredient ID: NPC47548
Formula: C15H20O4

Ingredient ID: NPC36591
Formula: C15H24O3

Ingredient ID: NPC308451
Formula: C18H16O6

Ingredient ID: NPC304211
Formula: C15H18O4

Ingredient ID: NPC294355
Formula: C15H20O4

Ingredient ID: NPC288052
Formula: C17H20O7

Ingredient ID: NPC279121
Formula: C15H10O6

Ingredient ID: NPC276222
Formula: C20H18O11

Ingredient ID: NPC265511
Formula: C19H18O7

Ingredient ID: NPC264317
Formula: C30H48O3

Ingredient ID: NPC262693
Formula: C15H20O5

Ingredient ID: NPC20791
Formula: C15H10O7

Ingredient ID: NPC193842
Formula: C19H18O8

Ingredient ID: NPC183629
Formula: C15H18O4

Ingredient ID: NPC183316
Formula: C26H34O6

Ingredient ID: NPC172506
Formula: C26H34O6

Ingredient ID: NPC165970
Formula: C26H22O10

Ingredient ID: NPC162704
Formula: C17H22O4

Ingredient ID: NPC144878
Formula: C15H22O4

Ingredient ID: NPC13877
Formula: C15H20O4

Ingredient ID: NPC133698
Formula: C17H22O5

Ingredient ID: NPC131209
Formula: C15H20O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC131209 C15H20O4 264.1361591 0.1397 2.67 0.543 4 2 66.76 4 3 19 0
NPC133698 C17H22O5 306.1467238 0.5188 2.78 1.283 5 1 72.83 6 3 22 0
NPC13877 C15H20O4 (3aS,5aR,6R,8S,9aS,9bS)-6,8-dihydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one 264.1361591 -0.2739 2.67 0.41 4 2 66.76 0 3 19 0
NPC144878 C15H22O4 266.1518092 0.2819 2.67 0.53 4 2 66.76 0 2 19 0
NPC162704 C17H22O4 290.1518092 2.3347 2.89 2.44 4 0 52.6 2 2 21 0
NPC165970 C26H22O10 5''-Methoxyhydnocarpin-D 494.12 -2.8458 3.22 1.221 2 4 144.14 11 5 36 0
NPC172506 C26H34O6 442.2355388 1.0043 3.66 3.663 2 1 74.22 5 4 32 0
NPC183316 C26H34O6 442.2355388 2.3343 3.66 4.677 2 0 66.52 11 3 32 1
NPC183629 C15H18O4 (3aR,4S,6aS,9aR,9bS)-4,6a-dihydroxy-9-methyl-3,6-dimethylidene-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-2-one 262.1205091 0.325 2.67 -0.626 4 2 66.76 0 3 19 0
NPC193842 C19H18O8 374.1001675 -1.9715 2.67 1.438 2 2 103.68 11 3 27 0
NPC20791 C15H10O7 Quercetin 302.04 -2.8012 2.34 1.381 2 5 127.45 6 3 22 0
NPC262693 C15H20O5 280.1310737 -0.903 2.56 0.165 5 2 79.29 0 4 20 0
NPC264317 C30H48O3 Betulinic Acid 456.36 2.3495 4.43 9.407 3 2 57.53 10 5 33 1
NPC265511 C19H18O7 Diplotrin B 358.11 -1.5112 2.78 2.401 2 1 83.45 10 3 26 0
NPC276222 C20H18O11 434.0849114 -4.3814 2.45 -0.111 11 7 186.37 10 4 31 1
NPC279121 C15H10O6 Luteolin 286.05 -2.3448 2.45 1.033 1 4 107.22 5 3 21 0
NPC288052 C17H20O7 336.120903 -0.9628 2.56 -0.017 7 1 97.89 2 5 24 0
NPC294355 C15H20O4 (3aS,5aR,6R,9S,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,9,9a,9b-octahydrobenzo[g][1]benzofuran-2,8-dione 264.1361591 0.1753 2.67 0.652 4 1 63.6 0 3 19 0
NPC304211 C15H18O4 (3aR,4S,6aS,9aR,9bS)-4,6a-dihydroxy-6,9-dimethyl-3-methylidene-4,7,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2-one 262.1205091 0.6649 2.67 -0.405 4 2 66.76 0 3 19 0
NPC308451 C18H16O6 328.0946882 -1.1193 2.78 2.161 1 1 74.22 8 3 24 0
NPC36591 C15H24O3 252.1725446 0.1274 2.78 3.03 3 1 46.53 0 3 18 0
NPC47548 C15H20O4 264.1361591 0.499 2.67 0.348 4 2 66.76 0 2 19 0
NPC52086 C11H10O5 222.0528234 -0.2939 2.12 0.644 1 1 64.99 5 2 16 0
NPC56446 C18H23NO6 349.1525375 0.2351 2.67 0.138 7 2 96.3 1 3 25 0
NPC76336 C10H8O4 Scopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0
NPC82881 C26H34O5 6,8-dimethoxy-7-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one 426.2406242 4.0445 3.77 6.008 1 0 53.99 11 2 31 2

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