26 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.



8 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC80230
Formula: C22H22O7

Ingredient ID: NPC6876
Formula: C17H17NO

Ingredient ID: NPC66341
Formula: C18H19NO4

Ingredient ID: NPC61879
Formula: C19H21NO5

Ingredient ID: NPC35961
Formula: C18H19NO4

Ingredient ID: NPC296898
Formula: C19H21NO5

Ingredient ID: NPC278525
Formula: C17H9NO3

Ingredient ID: NPC256744
Formula: C20H21NO3

Ingredient ID: NPC247389
Formula: C20H21NO4

Ingredient ID: NPC229166
Formula: C19H19NO4

Ingredient ID: NPC21376
Formula: C18H17NO4

Ingredient ID: NPC210354
Formula: C22H24O7

Ingredient ID: NPC195749
Formula: C18H19NO4

Ingredient ID: NPC189903
Formula: C19H13NO5

Ingredient ID: NPC185485
Formula: C21H21NO4

Ingredient ID: NPC172259
Formula: C10H10O4

Ingredient ID: NPC16805
Formula: C20H21NO4

Ingredient ID: NPC16402
Formula: C18H15NO3

Ingredient ID: NPC155442
Formula: C18H17NO4

Ingredient ID: NPC144054
Formula: C29H48O2

Ingredient ID: NPC135772
Formula: C18H17NO4

Ingredient ID: NPC131192
Formula: C8H8O3

Ingredient ID: NPC126140
Formula: C21H19NO4

Ingredient ID: NPC118396
Formula: C21H23NO3

Ingredient ID: NPC114364
Formula: C19H19NO4

Ingredient ID: NPC111588
Formula: C19H19NO3

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC111588 C19H19NO3 309.1364935 -0.8578 3.11 3.239 4 1 49.77 2 4 23 0
NPC114364 C19H19NO4 (S)-Bulbocapnine 325.13 -0.4201 3 1.645 1 1 51.16 4 5 24 0
NPC118396 C21H23NO3 337.1677936 -1.0696 3.33 4.061 4 1 49.77 4 4 25 0
NPC126140 C21H19NO4 349.1314081 -0.4308 3.22 3.26 5 1 59 2 5 26 0
NPC131192 C8H8O3 Methylparaben 152.05 -0.4491 2.01 1.391 2 1 46.53 4 1 11 0
NPC135772 C18H17NO4 311.12 -0.956 2.89 1.406 1 2 59.95 3 5 23 0
NPC144054 C29H48O2 (6R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 428.3654308 1.3831 4.43 9.98 2 1 37.3 6 4 31 1
NPC155442 C18H17NO4 311.12 -0.956 2.89 1.406 1 2 59.95 3 5 23 0
NPC16402 C18H15NO3 293.1051933 -0.9486 3 3.286 4 1 49.77 2 4 22 0
NPC16805 C20H21NO4 Dicentrine 339.15 -0.0116 3.11 2.164 1 0 40.16 5 5 25 0
NPC172259 C10H10O4 (3R,4S)-4,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one 194.0579088 -1.0612 2.12 1.212 3 2 66.76 0 2 14 0
NPC185485 C21H21NO4 351.1470582 -1.4333 3.22 3.266 5 1 59 3 5 26 0
NPC189903 C19H13NO5 335.0793725 -0.6701 2.89 1.754 2 0 66.88 4 5 25 0
NPC195749 C18H19NO4 N-Trans-Feruloyl Tyramine 313.13 -0.6499 2.89 3.109 2 3 82.28 10 2 23 0
NPC210354 C22H24O7 (-)-Yatein 400.15 -0.346 3.11 2.936 2 0 72.45 10 4 29 0
NPC21376 C18H17NO4 311.115758 -0.956 2.89 1.406 5 2 59.95 1 5 23 0
NPC229166 C19H19NO4 325.1314081 -0.4201 3 1.645 1 1 51.16 4 5 24 0
NPC247389 C20H21NO4 339.1470582 -0.0116 3.11 2.164 1 0 40.16 5 5 25 0
NPC256744 C20H21NO3 323.1521435 -0.7816 3.22 3.492 4 1 49.77 3 4 24 0
NPC278525 C17H9NO3 Liriodenine 275.06 -0.5665 2.89 3.275 2 0 48.42 0 5 21 0
NPC296898 C19H21NO5 343.14 -0.7017 2.89 2.665 2 3 91.51 12 2 25 0
NPC35961 C18H19NO4 Cis-N-Feruloyltyramine 313.13 -0.6499 2.89 3.109 2 3 82.28 10 2 23 0
NPC61879 C19H21NO5 343.1419728 -0.7017 2.89 2.665 6 3 91.51 7 2 25 0
NPC66341 C18H19NO4 313.1314081 -1.1654 2.89 0.96 1 3 70.95 6 4 23 0
NPC6876 C17H17NO 251.1310142 0.3225 3.11 7.8 2 1 32.59 5 2 19 1
NPC80230 C22H22O7 Desoxypodophyllotoxin 398.14 -0.6687 3.11 2.289 2 0 72.45 7 5 29 0

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