Component ID |
TCMH1987 |
Latin Name |
Silybum marianum |
English Name |
St marys |
Chinese Pinyin Name |
Shui Fei Ji |
中文名 |
水飞蓟 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAL1495-14 |
Barcode Source |
BOLDSYSTEMS |
Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
---|---|---|---|---|
TCMT1 | EHMT2 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Transferase | Q96KQ7 |
TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
TCMT107 | GRIK2 | Glutamate receptor ionotropic kainate 2 | Ion channel | Q13002 |
TCMT108 | GRIA1 | Glutamate receptor ionotropic, AMPA 1 | Ion channel | P42261 |
TCMT109 | GRIA2 | Glutamate receptor ionotropic, AMPA 2 | Ion channel | P42262 |
TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
TCMT110 | GRIA4 | Glutamate receptor ionotropic, AMPA 4 | Ion channel | P48058 |
TCMT111 | GRIK5 | Glutamate receptor ionotropic kainate 5 | Ion channel | Q16478 |
TCMT112 | ADORA3 | Adenosine A3 receptor | GPCR | P0DMS8 |
TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
TCMT126 | TERT | Telomerase reverse transcriptase | Transferase | O14746 |
TCMT13 | APEX1 | DNA-(apurinic or apyrimidinic site) lyase | Lyase | P27695 |
TCMT130 | ALOX5 | Arachidonate 5-lipoxygenase | Oxidoreductase | P09917 |
TCMT131 | ACHE | Acetylcholinesterase | Hydrolase | P22303 |
TCMT132 | BCHE | Butyrylcholinesterase | Hydrolase | P06276 |
TCMT133 | CA1 | Carbonic anhydrase I | Lyase | P00915 |
TCMT134 | CA2 | Carbonic anhydrase II | Lyase | P00918 |
TCMT135 | CA14 | Carbonic anhydrase XIV | Lyase | Q9ULX7 |
TCMT136 | CA12 | Carbonic anhydrase XII | Lyase | O43570 |
TCMT137 | CA9 | Carbonic anhydrase IX | Lyase | Q16790 |
TCMT138 | CA7 | Carbonic anhydrase VII | Lyase | P43166 |
TCMT139 | CA6 | Carbonic anhydrase VI | Lyase | P23280 |
TCMT140 | CA5B | Carbonic anhydrase VB | Lyase | Q9Y2D0 |
TCMT141 | CA5A | Carbonic anhydrase VA | Lyase | P35218 |
TCMT142 | CA4 | Carbonic anhydrase IV | Lyase | P22748 |
TCMT143 | CA3 | Carbonic anhydrase III | Lyase | P07451 |
TCMT150 | RORC | Nuclear receptor ROR-gamma | Nuclear receptor | P51449 |
TCMT151 | PRKCA | Protein kinase C alpha | Kinase | P17252 |
TCMT152 | PRKCB | Protein kinase C beta | Kinase | P05771 |
TCMT153 | PRKCG | Protein kinase C gamma | Kinase | P05129 |
TCMT154 | PRKCD | Protein kinase C delta | Kinase | Q05655 |
TCMT155 | PRKCE | Protein kinase C epsilon | Kinase | Q02156 |
TCMT156 | CYP19A1 | Cytochrome P450 19A1 | Oxidoreductase | P11511 |
TCMT158 | EPHX2 | Epoxide hydratase | Lyase | P34913 |
TCMT159 | TYR | Tyrosinase | Oxidoreductase | P14679 |
TCMT160 | HTR7 | Serotonin 7 (5-HT7) receptor | GPCR | P34969 |
TCMT162 | UGT1A1 | UDP-glucuronosyltransferase 1-1 | Transferase | P22309 |
TCMT164 | PTGS1 | Cyclooxygenase-1 | Oxidoreductase | P23219 |
TCMT17 | POLB | DNA polymerase beta | Transferase | P06746 |
TCMT174 | HSD11B1 | 11-beta-hydroxysteroid dehydrogenase 1 | Oxidoreductase | P28845 |
TCMT176 | SOAT1 | Acyl coenzyme A:cholesterol acyltransferase 1 | Transferase | P35610 |
TCMT18 | GAA | Lysosomal alpha-glucosidase | Hydrolase | P10253 |
TCMT189 | DUSP3 | Dual specificity protein phosphatase 3 | Hydrolase | P51452 |
TCMT195 | MAP2K1 | Dual specificity mitogen-activated protein kinase kinase 1 | Kinase | Q02750 |
TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
TCMT207 | BACE1 | Beta-secretase 1 | Protease | P56817 |
TCMT212 | SRC | Tyrosine-protein kinase SRC | Kinase | P12931 |
TCMT215 | CYP1A1 | Cytochrome P450 1A1 | Oxidoreductase | P04798 |
TCMT217 | CYP2C8 | Cytochrome P450 2C8 | Oxidoreductase | P10632 |
TCMT219 | CYP1A2 | Cytochrome P450 1A2 | Oxidoreductase | P05177 |
TCMT220 | CYP2J2 | Cytochrome P450 2J2 | Oxidoreductase | P51589 |
TCMT223 | AKR1B1 | Aldose reductase | Oxidoreductase | P15121 |
TCMT225 | CA13 | Carbonic anhydrase XIII | Lyase | Q8N1Q1 |
TCMT239 | PIM1 | Serine/threonine-protein kinase PIM1 | Kinase | P11309 |
TCMT240 | AMY1A | Salivary alpha-amylase | Unclassified | P04745 |
TCMT248 | CXCL8 | Interleukin-8 | Unclassified | P10145 |
TCMT249 | CDK6 | Cyclin-dependent kinase 6 | Kinase | Q00534 |
TCMT257 | CYP1B1 | Cytochrome P450 1B1 | Oxidoreductase | Q16678 |
TCMT260 | FLT3 | Tyrosine-protein kinase receptor FLT3 | Kinase | P36888 |
TCMT261 | DAPK1 | Death-associated protein kinase 1 | Kinase | P53355 |
TCMT265 | GSK3B | Glycogen synthase kinase-3 beta | Kinase | P49841 |
TCMT27 | DRD1 | Dopamine D1 receptor | GPCR | P21728 |
TCMT276 | SLCO2B1 | Solute carrier organic anion transporter family member 2B1 | Transporter | O94956 |
TCMT277 | SLCO1B3 | Solute carrier organic anion transporter family member 1B3 | Transporter | Q9NPD5 |
TCMT278 | SLCO1B1 | Solute carrier organic anion transporter family member 1B1 | Transporter | Q9Y6L6 |
TCMT280 | AKR1B10 | Aldo-keto reductase family 1 member B10 | Oxidoreductase | O60218 |
TCMT281 | DPP4 | Dipeptidyl peptidase IV | Unclassified | P27487 |
TCMT297 | FABP4 | Fatty acid binding protein adipocyte | Unclassified | P15090 |
TCMT298 | FABP3 | Fatty acid binding protein muscle | Hydrolase | P05413 |
TCMT3 | ALOX15 | Arachidonate 15-lipoxygenase | Oxidoreductase | P16050 |
TCMT30 | PTGS2 | Cyclooxygenase-2 | Oxidoreductase | P35354 |
TCMT306 | MMP2 | Matrix metalloproteinase-2 | Hydrolase | P08253 |
TCMT307 | KCNH2 | HERG | Ion channel | Q12809 |
TCMT31 | CYP2C19 | Cytochrome P450 2C19 | Oxidoreductase | P33261 |
TCMT320 | MMP3 | Matrix metalloproteinase 3 | Hydrolase | P08254 |
TCMT321 | MMP9 | Matrix metalloproteinase 9 | Hydrolase | P14780 |
TCMT322 | MMP13 | Matrix metalloproteinase 13 | Hydrolase | P45452 |
TCMT33 | CYP3A4 | Cytochrome P450 3A4 | Oxidoreductase | P08684 |
TCMT331 | PLG | Plasminogen | Unclassified | P00747 |
TCMT34 | CYP2D6 | Cytochrome P450 2D6 | Oxidoreductase | P10635 |
TCMT340 | GLRA1 | Glycine receptor subunit alpha-1 | Ion channel | P23415 |
TCMT341 | NR1I2 | Pregnane X receptor | Nuclear receptor | O75469 |
TCMT36 | HTR1A | Serotonin 1a (5-HT1a) receptor | GPCR | P08908 |
TCMT369 | IGF1R | Insulin-like growth factor I receptor | Kinase | P08069 |
TCMT370 | KDR | Vascular endothelial growth factor receptor 2 | Kinase | P35968 |
TCMT374 | AURKB | Serine/threonine-protein kinase Aurora-B | Kinase | Q96GD4 |
TCMT38 | DRD2 | Dopamine D2 receptor | GPCR | P14416 |
TCMT388 | AXL | Tyrosine-protein kinase receptor UFO | Kinase | P30530 |
TCMT39 | PDE5A | Phosphodiesterase 5A | Hydrolase | O76074 |
TCMT401 | MET | Hepatocyte growth factor receptor | Kinase | P08581 |
TCMT402 | ALK | ALK tyrosine kinase receptor | Kinase | Q9UM73 |
TCMT41 | IDH1 | Isocitrate dehydrogenase [NADP] cytoplasmic | Oxidoreductase | O75874 |
TCMT42 | KMT2A | Histone-lysine N-methyltransferase MLL | Transferase | Q03164 |
TCMT422 | CAMK2B | CaM kinase II beta | Kinase | Q13554 |
TCMT423 | EGFR | Epidermal growth factor receptor erbB1 | Kinase | P00533 |
TCMT436 | NUAK1 | NUAK family SNF1-like kinase 1 | Kinase | O60285 |
TCMT44 | GLO1 | Glyoxalase I | Lyase | Q04760 |
TCMT441 | PTK2 | Focal adhesion kinase 1 | Kinase | Q05397 |
TCMT445 | NEK2 | Serine/threonine-protein kinase NEK2 | Kinase | P51955 |
TCMT45 | APP | Beta amyloid A4 protein | Unclassified | P05067 |
TCMT46 | F3 | Coagulation factor III | Unclassified | P13726 |
TCMT460 | MAPKAPK2 | MAP kinase-activated protein kinase 2 | Kinase | P49137 |
TCMT462 | NEK6 | Serine/threonine-protein kinase NEK6 | Kinase | Q9HC98 |
TCMT479 | AKT1 | Serine/threonine-protein kinase AKT | Kinase | P31749 |
TCMT484 | PLK1 | Serine/threonine-protein kinase PLK1 | Kinase | P53350 |
TCMT507 | MAPK14 | MAP kinase p38 alpha | Kinase | Q16539 |
TCMT508 | SYK | Tyrosine-protein kinase SYK | Kinase | P43405 |
TCMT558 | TOP2A | DNA topoisomerase II alpha | Isomerase | P11388 |
TCMT559 | ADRB2 | Beta-2 adrenergic receptor | GPCR | P07550 |
TCMT592 | XDH | Xanthine dehydrogenase | Oxidoreductase | P47989 |
TCMT6 | NFKB1 | Nuclear factor NF-kappa-B p105 subunit | Transcription factor | P19838 |
TCMT601 | F2 | Thrombin | Unclassified | P00734 |
TCMT629 | ABCC1 | Multidrug resistance-associated protein 1 | Transporter | P33527 |
TCMT63 | PPARA | Peroxisome proliferator-activated receptor alpha | Nuclear receptor | Q07869 |
TCMT636 | POLA1 | DNA polymerase alpha subunit | Transferase | P09884 |
TCMT64 | PPARD | Peroxisome proliferator-activated receptor delta | Nuclear receptor | Q03181 |
TCMT65 | HSD17B1 | Estradiol 17-beta-dehydrogenase 1 | Oxidoreductase | P14061 |
TCMT653 | GRM1 | Metabotropic glutamate receptor 1 | GPCR | Q13255 |
TCMT654 | GRM5 | Metabotropic glutamate receptor 5 | GPCR | P41594 |
TCMT655 | GRM2 | Metabotropic glutamate receptor 2 | GPCR | Q14416 |
TCMT656 | GRM3 | Metabotropic glutamate receptor 3 | GPCR | Q14832 |
TCMT657 | GRM4 | Metabotropic glutamate receptor 4 | GPCR | Q14833 |
TCMT66 | HSD17B2 | Estradiol 17-beta-dehydrogenase 2 | Oxidoreductase | P37059 |
TCMT660 | GRM8 | Metabotropic glutamate receptor 8 | GPCR | O00222 |
TCMT661 | FOLH1 | Glutamate carboxypeptidase II | Hydrolase | Q04609 |
TCMT664 | SLC1A1 | Excitatory amino acid transporter 3 | Transporter | P43005 |
TCMT67 | PPARG | Peroxisome proliferator-activated receptor gamma | Nuclear receptor | P37231 |
TCMT69 | THRB | Thyroid hormone receptor beta-1 | Nuclear receptor | P10828 |
TCMT734 | MMP12 | Matrix metalloproteinase 12 | Hydrolase | P39900 |
TCMT739 | GPR35 | G-protein coupled receptor 35 | GPCR | Q9HC97 |
TCMT740 | PIK3CG | PI3-kinase p110-gamma subunit | Transferase | P48736 |
TCMT747 | ABCG2 | ATP-binding cassette sub-family G member 2 | Transporter | Q9UNQ0 |
TCMT784 | AVPR2 | Vasopressin V2 receptor | GPCR | P30518 |
TCMT785 | CXCR1 | Interleukin-8 receptor A | GPCR | P25024 |
TCMT786 | CCR4 | C-C chemokine receptor type 4 | GPCR | P51679 |
TCMT791 | PKN1 | Protein kinase N1 | Kinase | Q16512 |
TCMT793 | PYGL | Liver glycogen phosphorylase | Transferase | P06737 |
TCMT8 | KDM4E | Lysine-specific demethylase 4D-like | Oxidoreductase | B2RXH2 |
TCMT80 | MAPK1 | MAP kinase ERK2 | Kinase | P28482 |
TCMT808 | FABP5 | Fatty acid binding protein epidermal | Unclassified | Q01469 |
TCMT809 | FABP2 | Fatty acid binding protein intestinal | Unclassified | P12104 |
TCMT81 | ALOX12 | Arachidonate 12-lipoxygenase | Oxidoreductase | P18054 |
TCMT810 | TLR2 | Toll-like receptor 2 | Unclassified | O60603 |
TCMT82 | ESR1 | Estrogen receptor alpha | Nuclear receptor | P03372 |
TCMT83 | CD38 | Lymphocyte differentiation antigen CD38 | Unclassified | P28907 |
TCMT87 | CYP2C9 | Cytochrome P450 2C9 | Oxidoreductase | P11712 |
TCMT95 | MPG | DNA-3-methyladenine glycosylase | Hydrolase | P29372 |
Target ID | Target Name |
---|---|
TCMT1090 | Human immunodeficiency virus type 1 integrase |
TCMT1092 | Fatty acid synthase |
TCMT1093 | Enoyl-acyl-carrier protein reductase |
TCMT1094 | 3-oxoacyl-acyl-carrier protein reductase |
TCMT1099 | Neuraminidase |
TCMT1109 | Reverse transcriptase |
TCMT1121 | Sialidase |
TCMT1136 | Neuraminidase |
TCMT1208 | Escherichia coli K12 |
TCMT1212 | Verticillium dahliae |
TCMT1218 | Staphylococcus aureus |
TCMT1222 | Plasmodium falciparum D6 |
TCMT1223 | Staphylococcus epidermidis |
TCMT1246 | Escherichia coli |
TCMT1248 | Hepatitis C virus |
TCMT1286 | Bacillus cereus |
TCMT1294 | Human parainfluenza virus 3 |
TCMT1346 | Helicobacter pylori |
TCMT1349 | Helicobacter pylori SS1 |
TCMT1361 | Neisseria meningitidis |
TCMT1382 | Plasmodium falciparum (isolate K1 / Thailand) |
TCMT1412 | Salmonella typhimurium |
TCMT1438 | Plasmodium falciparum |
TCMT1442 | Leishmania donovani |
TCMT1443 | Leishmania amazonensis |
TCMT1455 | Mycobacterium tuberculosis H37Rv |
TCMT1463 | Mycobacterium tuberculosis |
TCMT1465 | Entamoeba histolytica |
Ingredient ID: TCMC902
Formula: C27H46O
Ingredient ID: TCMC759
Formula: C22H44O2
Ingredient ID: TCMC715
Formula: C20H32O2
Ingredient ID: TCMC5515
Formula: C25H22O10
Ingredient ID: TCMC4738
Formula: C21H18O11
Ingredient ID: TCMC4328
Formula: C9H6O4
Ingredient ID: TCMC3838
Formula: C25H22O9
Ingredient ID: TCMC3168
Formula: C25H22O10
Ingredient ID: TCMC2230
Formula: C27H30O15
Ingredient ID: TCMC2199
Formula: C8H11NO
Ingredient ID: TCMC2107
Formula: C29H48O
Ingredient ID: TCMC2105
Formula: C18H36O2
Ingredient ID: TCMC2081
Formula: C25H22O10
Ingredient ID: TCMC2080
Formula: C25H22O10
Ingredient ID: TCMC2079
Formula: C25H22O10
Ingredient ID: TCMC1982
Formula: C15H10O7
Ingredient ID: TCMC1881
Formula: C36H56O8
Ingredient ID: TCMC1830
Formula: C16H32O2
Ingredient ID: TCMC1788
Formula: C18H34O2
Ingredient ID: TCMC164
Formula: C3H7NO2S
Ingredient ID: TCMC1611
Formula: C14H28O2
Ingredient ID: TCMC1496
Formula: C18H30O2
Ingredient ID: TCMC1495
Formula: C18H32O2
Ingredient ID: TCMC1480
Formula: C5H9NO4
Ingredient ID: TCMC1414
Formula: C25H22O10
Ingredient ID: TCMC1271
Formula: C2H5NO2
Ingredient ID: TCMC1259
Formula: C24H34N4O5S
Ingredient ID: TCMC1100
Formula: C20H40O2
Ingredient ID: TCMC110
Formula: C25H22O10
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC110 | C25H22O10 | (3S)-3,5,7-Trihydroxy-2-[(2S,3S)-3-(4-Hydroxy-3-Methoxyphenyl)-2-(Hydroxymethyl)-2,3-Dihydro-1,4-Benzodioxin-6-Yl]-2,3-Dihydrochromen-4-One | 482.12 | -3.3761 | 3.11 | 0.66 | 3 | 5 | 155.14 | 10 | 5 | 35 | 0 |
TCMC164 | C3H7NO2S | (R)-Cysteine | 121.02 | -0.6242 | 1.35 | -2.575 | 3 | 2 | 102.12 | 5 | 0 | 7 | 0 |
TCMC715 | C20H32O2 | Arachidonic Acid | 304.24 | 1.2639 | 3.44 | 8.349 | 2 | 1 | 37.3 | 16 | 0 | 22 | 2 |
TCMC759 | C22H44O2 | Behenic Acid | 340.33 | -5.6257 | 3.66 | 10.984 | 2 | 1 | 37.3 | 22 | 0 | 24 | 2 |
TCMC902 | C27H46O | Cholesterol | 386.35 | 1.5548 | 4.32 | 10.518 | 1 | 1 | 20.23 | 11 | 4 | 28 | 1 |
TCMC1100 | C20H40O2 | Elcosanoic Acid | 312.3 | -5.0497 | 3.44 | 9.846 | 2 | 1 | 37.3 | 20 | 0 | 22 | 2 |
TCMC1259 | C24H34N4O5S | Glimepiride | 490.22 | 0.2885 | 3 | 4.487 | 9 | 3 | 140.04 | 14 | 3 | 34 | 0 |
TCMC1271 | C2H5NO2 | Glycine | 75.03 | -1.1915 | 1.35 | -3.35 | 3 | 2 | 63.32 | 3 | 0 | 5 | 0 |
TCMC1414 | C25H22O10 | Isosilybin A | 482.12 | -3.3761 | 3.11 | 0.66 | 3 | 5 | 155.14 | 10 | 5 | 35 | 0 |
TCMC1480 | C5H9NO4 | L-Glutamate | 147.05 | -1.6398 | 1.46 | -3.349 | 5 | 3 | 100.62 | 7 | 0 | 10 | 0 |
TCMC1495 | C18H32O2 | Linoleic Acid | 280.24 | -0.9485 | 3.22 | 7.865 | 2 | 1 | 37.3 | 16 | 0 | 20 | 2 |
TCMC1496 | C18H30O2 | Linolenic Acid | 278.22 | -0.0979 | 3.22 | 7.538 | 2 | 1 | 37.3 | 15 | 0 | 20 | 2 |
TCMC1611 | C14H28O2 | Myristic Acid | 228.21 | -3.3217 | 2.78 | 6.432 | 2 | 1 | 37.3 | 14 | 0 | 16 | 2 |
TCMC1788 | C18H34O2 | Oleic Acid | 282.26 | -2.3427 | 3.22 | 8.192 | 2 | 1 | 37.3 | 17 | 0 | 20 | 2 |
TCMC1830 | C16H32O2 | Palmitic Acid | 256.24 | -3.8977 | 3 | 7.57 | 2 | 1 | 37.3 | 16 | 0 | 18 | 2 |
TCMC1881 | C36H56O8 | Phorbol Myristate Acetate | 616.4 | -3.4367 | 4.54 | 6.511 | 8 | 3 | 130.36 | 26 | 4 | 44 | 2 |
TCMC1982 | C15H10O7 | Quercetin | 302.04 | -2.8012 | 2.34 | 1.381 | 2 | 5 | 127.45 | 6 | 3 | 22 | 0 |
TCMC2079 | C25H22O10 | Silibinin | 482.12 | -3.3761 | 3.11 | 0.66 | 3 | 5 | 155.14 | 10 | 5 | 35 | 0 |
TCMC2080 | C25H22O10 | Silybin B | 482.12 | -3.3761 | 3.11 | 0.66 | 3 | 5 | 155.14 | 10 | 5 | 35 | 0 |
TCMC2081 | C25H22O10 | Silychristin | 482.12 | -3.938 | 3.11 | 0.025 | 3 | 6 | 166.14 | 11 | 5 | 35 | 1 |
TCMC2105 | C18H36O2 | Stearic Acid | 284.27 | -4.4737 | 3.22 | 8.708 | 2 | 1 | 37.3 | 18 | 0 | 20 | 2 |
TCMC2107 | C29H48O | Stigmasterol | 412.37 | 1.2566 | 4.54 | 11.071 | 1 | 1 | 20.23 | 12 | 4 | 30 | 1 |
TCMC2199 | C8H11NO | Tyramine | 137.08 | -0.943 | 2.12 | 1.104 | 1 | 2 | 46.25 | 4 | 1 | 10 | 0 |
TCMC2230 | C27H30O15 | Vicenin-2 | 594.16 | -6.3559 | 2.78 | -2.583 | 11 | 11 | 267.29 | 16 | 5 | 42 | 2 |
TCMC3168 | C25H22O10 | Silybin | 482.1212969 | -3.3761 | 3.11 | 0.66 | 3 | 5 | 155.14 | 4 | 5 | 35 | 0 |
TCMC3838 | C25H22O9 | Silandrin | 466.1263823 | -2.7239 | 3.22 | 0.995 | 2 | 4 | 134.91 | 4 | 5 | 34 | 0 |
TCMC4328 | C9H6O4 | 2',4'-Dihydroxy-7-Methoxy-8-Prenylflavan,5,7-Dihydroxychromone | 178.0266087 | -1.306 | 2.01 | -0.55 | 4 | 2 | 57.53 | 0 | 2 | 13 | 0 |
TCMC4738 | C21H18O11 | Apigenin-7-O-Β-D-Glucuronide | 445.0770864 | -4.0146 | 2.56 | -0.711 | 10 | 5 | 176.81 | 4 | 4 | 32 | 0 |
TCMC5515 | C25H22O10 | Isosilybin B | 482.1212969 | -3.3761 | 3.11 | 0.66 | 3 | 5 | 155.14 | 4 | 5 | 35 | 0 |