35 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.



11 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC89474
Formula: C18H16O6

Ingredient ID: NPC86975
Formula: C66H102ClN13O20

Ingredient ID: NPC73225
Formula: C72H112ClN13O24

Ingredient ID: NPC67037
Formula: C20H18O11

Ingredient ID: NPC475985
Formula: C18H16O7

Ingredient ID: NPC475939
Formula: C33H40O4

Ingredient ID: NPC474843
Formula: C18H16O6

Ingredient ID: NPC474802
Formula: C31H46O5

Ingredient ID: NPC471481
Formula: C33H42O4

Ingredient ID: NPC46941
Formula: C14H10O5

Ingredient ID: NPC45782
Formula: C40H56O2

Ingredient ID: NPC329091
Formula: C18H16O7

Ingredient ID: NPC296878
Formula: C39H68O11

Ingredient ID: NPC291432
Formula: C66H102ClN13O19

Ingredient ID: NPC288840
Formula: C30H18O10

Ingredient ID: NPC285926
Formula: C14H16N2O2

Ingredient ID: NPC281131
Formula: C21H20O12

Ingredient ID: NPC279121
Formula: C15H10O6

Ingredient ID: NPC274618
Formula: C20H18O11

Ingredient ID: NPC266888
Formula: C11H18N2O2

Ingredient ID: NPC263270
Formula: C34H34N4O5

Ingredient ID: NPC251818
Formula: C72H112ClN13O23

Ingredient ID: NPC214532
Formula: C10H16N2O2

Ingredient ID: NPC20791
Formula: C15H10O7

Ingredient ID: NPC200746
Formula: C18H16O6

Ingredient ID: NPC196277
Formula: C13H8O6

Ingredient ID: NPC195457
Formula: C33H34N4O3

Ingredient ID: NPC193818
Formula: C41H72O11

Ingredient ID: NPC19032
Formula: C40H70O11

Ingredient ID: NPC18457
Formula: C13H8O4

Ingredient ID: NPC173637
Formula: C21H20O11

Ingredient ID: NPC169749
Formula: C15H10O8

Ingredient ID: NPC139036
Formula: C18H14O6

Ingredient ID: NPC135599
Formula: C21H20O12

Ingredient ID: NPC114172
Formula: C78H132O20

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC114172 C78H132O20 Swinholide A 1388.93 -3.0634 7.84 8.21 20 8 288.28 40 5 98 4
NPC135599 C21H20O12 464.0954761 -4.8524 2.45 -0.185 12 8 206.6 12 4 33 1
NPC139036 C18H14O6 326.0790382 -0.891 2.78 1.051 1 3 96.22 5 4 24 0
NPC169749 C15H10O8 Myricetin 318.04 -3.2615 2.23 0.847 2 6 147.68 7 3 23 1
NPC173637 C21H20O11 Quercitrin 448.1 -4.3921 2.56 0.349 6 7 186.37 11 4 32 1
NPC18457 C13H8O4 228.0422587 -1.3385 2.45 1.577 1 2 66.76 2 3 17 0
NPC19032 C40H70O11 methyl (2E,4E,7S)-7-hydroxy-4-methyl-8-[(2S,6R)-2-[(2S,3S,4S,6R,7S,8S,9S,10S,11S)-4,6,8,10-tetrahydroxy-2-methoxy-13-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-3,7,9,11-tetramethyltridecyl]-3,6-dihydro-2H-pyran-6-yl]octa-2,4-dienoate 726.4918131 -1.8897 4.65 3.606 11 5 164.37 23 2 51 2
NPC193818 C41H72O11 740.5074631 -1.6393 4.76 4.029 11 5 164.37 24 2 52 2
NPC195457 C33H34N4O3 534.2630909 1.8251 4.32 4.869 7 3 111.73 11 6 40 0
NPC196277 C13H8O6 1,3,5,6-Tetrahydroxyxanthen-9-One 260.03 -2.2591 2.23 0.08 1 4 107.22 4 3 19 0
NPC200746 C18H16O6 Hyperxanthone E 328.09 -1.0408 2.78 1.242 1 3 96.22 5 4 24 0
NPC20791 C15H10O7 Quercetin 302.04 -2.8012 2.34 1.381 2 5 127.45 6 3 22 0
NPC214532 C10H16N2O2 196.1211778 -1.0221 2.12 0.456 4 1 52.9 4 2 14 0
NPC251818 C72H112ClN13O23 1561.768255 -4.138 5.31 1.853 35 17 568.4 28 4 109 3
NPC263270 C34H34N4O5 578.2529202 2.0905 4.21 5.124 9 2 127.03 6 6 43 1
NPC266888 C11H18N2O2 210.1368278 -0.7665 2.23 1.236 4 1 52.9 5 2 15 0
NPC274618 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
NPC281131 C21H20O12 Hyperoside 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
NPC285926 C14H16N2O2 244.1211778 -1.5326 2.56 3.066 4 1 52.9 3 3 18 0
NPC288840 C30H18O10 3-[5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxochromen-8-Yl]-5,7-Dihydroxy-2-(4-Hydroxyphenyl)Chromen-4-One 538.09 -3.8579 3.66 2.632 2 6 173.98 9 6 40 1
NPC291432 C66H102ClN13O19 1415.710346 -2.8911 5.09 2.258 31 15 509.48 26 3 99 3
NPC296878 C39H68O11 712.476163 -2.1407 4.54 3.285 11 6 175.37 22 2 50 3
NPC329091 C18H16O7 344.09 -1.5535 2.67 -0.013 2 5 127.45 9 3 25 0
NPC45782 C40H56O2 568.428031 8.4896 5.64 10.564 2 2 40.46 22 2 42 1
NPC46941 C14H10O5 1,7-Dihydroxy-4-Methoxyxanthone 258.05 -1.3903 2.45 1.133 1 2 75.99 4 3 19 0
NPC471481 C33H42O4 502.31 4.4808 4.65 9.863 4 1 71.44 17 3 37 1
NPC474802 C31H46O5 498.33 4.3647 4.32 6.281 5 1 80.67 20 3 36 1
NPC474843 C18H16O6 328.09 -1.0932 2.78 0.521 2 4 107.22 8 3 24 0
NPC475939 C33H40O4 500.29 4.2166 4.65 8.257 4 0 68.28 15 1 37 1
NPC475985 C18H16O7 344.09 -1.8071 2.67 0.212 2 4 116.45 7 4 25 0
NPC67037 C20H18O11 Avicularin 434.08 -4.3814 2.45 -0.111 6 7 186.37 11 4 31 1
NPC73225 C72H112ClN13O24 1577.763169 -4.7385 5.2 0.906 36 18 588.63 28 4 110 3
NPC86975 C66H102ClN13O20 1431.70526 -3.4916 4.98 1.311 32 16 529.71 26 3 100 3
NPC89474 C18H16O6 328.0946882 -0.3817 2.78 1.55 1 4 107.22 8 3 24 0

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