Component: Vitex negundo 黄荆子


Description of the Component

Component ID
TCMH970
Latin Name
Vitex negundo
English Name
NA
Chinese Pinyin Name
Huang Jing Zi
中文名
黄荆子
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
ITSAJ554-14
Barcode Source
BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID Prescription English Name Prescription Chinese Name
TCMF1198 Juan Xiao Tablet 蠲哮片
TCMF5193 San Yu Shen Qu 三余神曲
TCMF6420 Xiao Yan Zhi Ke Tablets 消炎止咳片
TCMF1023 Xiao Yan Zhi Tong Ointment 消炎止痛膏
TCMF1022 Xiao Yan Zhi Ke Tablet 消炎止咳片

Targeted Human Proteins by the Ingredient of Component

Target ID Gene Symbol Target Name Target Class Uniprot ID
TCMT1 EHMT2 Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Transferase Q96KQ7
TCMT100 TTR Transthyretin Unclassified P02766
TCMT101 PTPN1 Protein-tyrosine phosphatase 1B Hydrolase P18031
TCMT103 PTPRF Receptor-type tyrosine-protein phosphatase F (LAR) Hydrolase P10586
TCMT11 HIF1A Hypoxia-inducible factor 1 alpha Transcription factor Q16665
TCMT112 ADORA3 Adenosine A3 receptor GPCR P0DMS8
TCMT125 GBA Beta-glucocerebrosidase Hydrolase P04062
TCMT126 TERT Telomerase reverse transcriptase Transferase O14746
TCMT127 PARP1 Poly [ADP-ribose] polymerase-1 Transferase P09874
TCMT128 TNKS2 Tankyrase-2 Transferase Q9H2K2
TCMT129 TNKS Tankyrase-1 Transferase O95271
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
TCMT156 CYP19A1 Cytochrome P450 19A1 Oxidoreductase P11511
TCMT158 EPHX2 Epoxide hydratase Lyase P34913
TCMT159 TYR Tyrosinase Oxidoreductase P14679
TCMT161 HCAR2 Hydroxycarboxylic acid receptor 2 GPCR Q8TDS4
TCMT162 UGT1A1 UDP-glucuronosyltransferase 1-1 Transferase P22309
TCMT164 PTGS1 Cyclooxygenase-1 Oxidoreductase P23219
TCMT166 AKR1C2 Aldo-keto reductase family 1 member C2 Oxidoreductase P52895
TCMT167 AKR1C3 Aldo-keto-reductase family 1 member C3 Oxidoreductase P42330
TCMT168 AKR1C4 Aldo-keto reductase family 1 member C4 Oxidoreductase P17516
TCMT17 POLB DNA polymerase beta Transferase P06746
TCMT171 PTPN6 Protein-tyrosine phosphatase 1C Hydrolase P29350
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
TCMT186 MAOB Monoamine oxidase B Oxidoreductase P27338
TCMT187 AR Androgen Receptor Nuclear receptor P10275
TCMT189 DUSP3 Dual specificity protein phosphatase 3 Hydrolase P51452
TCMT190 PTPN2 T-cell protein-tyrosine phosphatase Hydrolase P17706
TCMT191 STAT3 Signal transducer and activator of transcription 3 Transcription factor P40763
TCMT193 RELA Nuclear factor NF-kappa-B p65 subunit Transcription factor Q04206
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
TCMT213 SLC22A1 Solute carrier family 22 member 1 Transporter O15245
TCMT215 CYP1A1 Cytochrome P450 1A1 Oxidoreductase P04798
TCMT217 CYP2C8 Cytochrome P450 2C8 Oxidoreductase P10632
TCMT218 CYP2B6 Cytochrome P450 2B6 Oxidoreductase P20813
TCMT219 CYP1A2 Cytochrome P450 1A2 Oxidoreductase P05177
TCMT22 ALPI Intestinal alkaline phosphatase Hydrolase P09923
TCMT220 CYP2J2 Cytochrome P450 2J2 Oxidoreductase P51589
TCMT223 AKR1B1 Aldose reductase Oxidoreductase P15121
TCMT225 CA13 Carbonic anhydrase XIII Lyase Q8N1Q1
TCMT23 ALPL Alkaline phosphatase, tissue-nonspecific isozyme Hydrolase P05186
TCMT233 PTPN11 Protein-tyrosine phosphatase 2C Hydrolase Q06124
TCMT236 ESR2 Estrogen receptor beta Nuclear receptor Q92731
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
TCMT254 CBR1 Carbonyl reductase [NADPH] 1 Oxidoreductase P16152
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
TCMT289 TBXAS1 Thromboxane-A synthase Isomerase P24557
TCMT295 MMP1 Matrix metalloproteinase-1 Hydrolase P03956
TCMT296 ADORA1 Adenosine A1 receptor GPCR P30542
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
TCMT311 SLC47A1 Multidrug and toxin extrusion protein 1 Transporter Q96FL8
TCMT320 MMP3 Matrix metalloproteinase 3 Hydrolase P08254
TCMT321 MMP9 Matrix metalloproteinase 9 Hydrolase P14780
TCMT322 MMP13 Matrix metalloproteinase 13 Hydrolase P45452
TCMT327 TRPV1 Vanilloid receptor Ion channel Q8NER1
TCMT33 CYP3A4 Cytochrome P450 3A4 Oxidoreductase P08684
TCMT331 PLG Plasminogen Unclassified P00747
TCMT336 IDO1 Indoleamine 2,3-dioxygenase Oxidoreductase P14902
TCMT34 CYP2D6 Cytochrome P450 2D6 Oxidoreductase P10635
TCMT341 NR1I2 Pregnane X receptor Nuclear receptor O75469
TCMT344 AOX1 Aldehyde oxidase Oxidoreductase Q06278
TCMT359 FYN Tyrosine-protein kinase FYN Kinase P06241
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
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
TCMT47 BCL2 Apoptosis regulator Bcl-2 Ion channel P10415
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
TCMT564 PRMT1 Protein-arginine N-methyltransferase 1 Transferase Q99873
TCMT567 DNMT1 DNA (cytosine-5)-methyltransferase 1 Transferase P26358
TCMT571 ADORA2B Adenosine A2b receptor GPCR P29275
TCMT588 DAO D-amino-acid oxidase Oxidoreductase P14920
TCMT59 BCL2L1 Apoptosis regulator Bcl-X Ion channel Q07817
TCMT591 ESRRA Estrogen-related receptor alpha Nuclear receptor P11474
TCMT592 XDH Xanthine dehydrogenase Oxidoreductase P47989
TCMT597 SLC28A3 Solute carrier family 28 member 3 Transporter Q9HAS3
TCMT598 TOP1 DNA topoisomerase I Isomerase P11387
TCMT6 NFKB1 Nuclear factor NF-kappa-B p105 subunit Transcription factor P19838
TCMT60 FASN Fatty acid synthase Unclassified P49327
TCMT601 F2 Thrombin Unclassified P00734
TCMT609 CTSL Cathepsin L Unclassified P07711
TCMT613 NR3C1 Glucocorticoid receptor Nuclear receptor P04150
TCMT620 HSPA8 Heat shock cognate 71 kDa protein Unclassified P11142
TCMT629 ABCC1 Multidrug resistance-associated protein 1 Transporter P33527
TCMT63 PPARA Peroxisome proliferator-activated receptor alpha Nuclear receptor Q07869
TCMT632 PNP Purine nucleoside phosphorylase Transferase P00491
TCMT64 PPARD Peroxisome proliferator-activated receptor delta Nuclear receptor Q03181
TCMT65 HSD17B1 Estradiol 17-beta-dehydrogenase 1 Oxidoreductase P14061
TCMT66 HSD17B2 Estradiol 17-beta-dehydrogenase 2 Oxidoreductase P37059
TCMT67 PPARG Peroxisome proliferator-activated receptor gamma Nuclear receptor P37231
TCMT69 THRB Thyroid hormone receptor beta-1 Nuclear receptor P10828
TCMT704 ERBB2 Receptor protein-tyrosine kinase erbB-2 Kinase P04626
TCMT707 ADORA2A Adenosine A2a receptor GPCR P29274
TCMT709 SLC28A2 Sodium/nucleoside cotransporter 2 Transporter O43868
TCMT710 SLC28A1 Sodium/nucleoside cotransporter 1 Transporter O00337
TCMT714 ODC1 Ornithine decarboxylase Lyase P11926
TCMT729 PIK3CA PI3-kinase p110-alpha subunit Transferase P42336
TCMT730 PIK3CB PI3-kinase p110-beta subunit Transferase P42338
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
TCMT822 FUT7 Alpha-(1,3)-fucosyltransferase 7 Transferase Q11130
TCMT83 CD38 Lymphocyte differentiation antigen CD38 Unclassified P28907
TCMT87 CYP2C9 Cytochrome P450 2C9 Oxidoreductase P11712
TCMT910 ESRRB Estrogen-related receptor beta Nuclear receptor O95718
TCMT95 MPG DNA-3-methyladenine glycosylase Hydrolase P29372
TCMT99 SHBG Testis-specific androgen-binding protein Unclassified P04278


Targeted Pathogenic Microbes by the Ingredient of Component

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
TCMT1104 Sortase
TCMT1108 Integrase
TCMT1109 Reverse transcriptase
TCMT1121 Sialidase
TCMT1136 Neuraminidase
TCMT1175 Human immunodeficiency virus
TCMT1178 Actinomyces viscosus
TCMT1189 Pseudomonas fluorescens
TCMT1208 Escherichia coli K12
TCMT1212 Verticillium dahliae
TCMT1213 Neisseria gonorrhoeae
TCMT1215 Pseudomonas aeruginosa PAO1
TCMT1218 Staphylococcus aureus
TCMT1222 Plasmodium falciparum D6
TCMT1223 Staphylococcus epidermidis
TCMT1226 Klebsiella pneumoniae
TCMT1229 Enterococcus faecalis
TCMT1232 Pseudomonas aeruginosa
TCMT1246 Escherichia coli
TCMT1251 Candida albicans
TCMT1253 Penicillium chrysogenum
TCMT1255 Human immunodeficiency virus 1
TCMT1286 Bacillus cereus
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
TCMT1449 Influenza A virus
TCMT1454 Bacillus subtilis
TCMT1455 Mycobacterium tuberculosis H37Rv
TCMT1458 Filobasidiella neoformans
TCMT1462 Streptococcus mutans
TCMT1463 Mycobacterium tuberculosis
TCMT1464 Hepatitis B virus
TCMT1465 Entamoeba histolytica

Ingredient Structrues

Ingredient ID: TCMC995
Formula: C35H60O6

Ingredient ID: TCMC943
Formula: C30H48O4

Ingredient ID: TCMC913
Formula: C15H14O6

Ingredient ID: TCMC897
Formula: C16H18O9

Ingredient ID: TCMC878
Formula: C15H14O6

Ingredient ID: TCMC865
Formula: C14H8N2O

Ingredient ID: TCMC850
Formula: C8H10N4O2

Ingredient ID: TCMC847
Formula: C9H8O4

Ingredient ID: TCMC811
Formula: C16H12O5

Ingredient ID: TCMC747
Formula: C15H22O9

Ingredient ID: TCMC741
Formula: C14H8O4

Ingredient ID: TCMC711
Formula: C21H20O10

Ingredient ID: TCMC671
Formula: C10H16

Ingredient ID: TCMC632
Formula: C10H13N5O4

Ingredient ID: TCMC559
Formula: C15H10N2O2

Ingredient ID: TCMC527
Formula: C27H30O15

Ingredient ID: TCMC525
Formula: C15H12O5

Ingredient ID: TCMC495
Formula: C7H6O2

Ingredient ID: TCMC470
Formula: C16H12N2O3

Ingredient ID: TCMC469
Formula: C25H24O12

Ingredient ID: TCMC418
Formula: C25H24O12

Ingredient ID: TCMC387
Formula: C10H16O

Ingredient ID: TCMC304
Formula: C10H18O

Ingredient ID: TCMC284
Formula: C10H16

Ingredient ID: TCMC2822
Formula: C15H24

Ingredient ID: TCMC2816
Formula: C15H14N2O3

Ingredient ID: TCMC2815
Formula: C15H24

Ingredient ID: TCMC281
Formula: C13H10N2O2

Ingredient ID: TCMC2801
Formula: C14H10N2O

Ingredient ID: TCMC2786
Formula: C22H20O12

Ingredient ID: TCMC2744
Formula: C22H26O11

Ingredient ID: TCMC2709
Formula: C21H20O10

Ingredient ID: TCMC2679
Formula: C19H16O5

Ingredient ID: TCMC2656
Formula: C14H8N2O2

Ingredient ID: TCMC2616
Formula: C20H16O6

Ingredient ID: TCMC2560
Formula: C9H20O

Ingredient ID: TCMC2541
Formula: C10H18O

Ingredient ID: TCMC2539
Formula: C10H16

Ingredient ID: TCMC2536
Formula: C15H10N2O3

Ingredient ID: TCMC2510
Formula: C15H26O

Ingredient ID: TCMC2484
Formula: C10H18O

Ingredient ID: TCMC2481
Formula: C20H20O8

Ingredient ID: TCMC2477
Formula: C27H30O15

Ingredient ID: TCMC2460
Formula: C23H28O12

Ingredient ID: TCMC24
Formula: C15H14O6

Ingredient ID: TCMC2366
Formula: C15H24O

Ingredient ID: TCMC2324
Formula: C10H16

Ingredient ID: TCMC2233
Formula: C21H20O10

Ingredient ID: TCMC2222
Formula: C8H8O4

Ingredient ID: TCMC2165
Formula: C10H14N2O5

Ingredient ID: TCMC2119
Formula: C9H10O5

Ingredient ID: TCMC2105
Formula: C18H36O2

Ingredient ID: TCMC2052
Formula: C16H18O9

Ingredient ID: TCMC2051
Formula: C10H8O4

Ingredient ID: TCMC2014
Formula: C15H8O6

Ingredient ID: TCMC1982
Formula: C15H10O7

Ingredient ID: TCMC1956
Formula: C7H6O4

Ingredient ID: TCMC1955
Formula: C7H6O3

Ingredient ID: TCMC1839
Formula: C7H6O3

Ingredient ID: TCMC1830
Formula: C16H32O2

Ingredient ID: TCMC182
Formula: C9H8O4

Ingredient ID: TCMC1788
Formula: C18H34O2

Ingredient ID: TCMC1741
Formula: C6H5NO2

Ingredient ID: TCMC1739
Formula: C12H20O2

Ingredient ID: TCMC1738
Formula: C15H26O

Ingredient ID: TCMC1734
Formula: C15H12O5

Ingredient ID: TCMC1720
Formula: C20H18N2O7

Ingredient ID: TCMC1712
Formula: C15H24O

Ingredient ID: TCMC1708
Formula: C14H8N2O2

Ingredient ID: TCMC1654
Formula: C16H12N2O3

Ingredient ID: TCMC1650
Formula: C15H10N2O2

Ingredient ID: TCMC1634
Formula: C14H8N2O2

Ingredient ID: TCMC1628
Formula: C15H10N2O2

Ingredient ID: TCMC1611
Formula: C14H28O2

Ingredient ID: TCMC1608
Formula: C10H16

Ingredient ID: TCMC1544
Formula: C10H20O

Ingredient ID: TCMC1516
Formula: C15H10O6

Ingredient ID: TCMC1496
Formula: C18H30O2

Ingredient ID: TCMC1495
Formula: C18H32O2

Ingredient ID: TCMC1493
Formula: C10H18O

Ingredient ID: TCMC1492
Formula: C10H18O

Ingredient ID: TCMC1476
Formula: C10H20O

Ingredient ID: TCMC1418
Formula: C21H20O10

Ingredient ID: TCMC1403
Formula: C21H20O11

Ingredient ID: TCMC1356
Formula: C21H20O12

Ingredient ID: TCMC13
Formula: C15H14O6

Ingredient ID: TCMC1298
Formula: C10H13N5O5

Ingredient ID: TCMC1239
Formula: C12H20O2

Ingredient ID: TCMC1236
Formula: C15H10O5

Ingredient ID: TCMC1206
Formula: C21H20O11

Ingredient ID: TCMC1204
Formula: C15H14O7

Ingredient ID: TCMC1202
Formula: C7H6O5

Ingredient ID: TCMC1189
Formula: C11H10O5

Ingredient ID: TCMC1159
Formula: C10H12O2

Ingredient ID: TCMC1157
Formula: C10H18O

Ingredient ID: TCMC1081
Formula: C12H24O2

Ingredient ID: TCMC1005
Formula: C15H10O7.ClH

Ingredient ID: TCMC1004
Formula: C15H10O7

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
TCMC13 C15H14O6 (-)-Epicatechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
TCMC24 C15H14O6 (+)-Epicatechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
TCMC182 C9H8O4 (Z)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid 180.04 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
TCMC281 C13H10N2O2 1-Methoxycarbonyl-Beta-Carboline 226.07 -0.4092 2.45 2.846 4 1 54.98 3 3 17 0
TCMC284 C10H16 1-Methyl-4-Prop-1-En-2-Ylcyclohexene 136.13 2.1424 2.56 3.729 0 0 0 3 1 10 0
TCMC304 C10H18O 2-(4-Methylcyclohex-3-En-1-Yl)Propan-2-Ol 154.14 1.1223 2.45 2.369 1 1 20.23 5 1 11 0
TCMC387 C10H16O 2-Methyl-5-Prop-1-En-2-Ylcyclohex-2-En-1-Ol 152.12 1.5693 2.45 1.699 1 1 20.23 4 1 11 0
TCMC418 C25H24O12 3,4-Dicaffeoylquinic Acid 516.13 -2.3865 2.89 1.085 8 7 211.28 16 3 37 1
TCMC469 C25H24O12 4,5-Dicaffeoylquinic Acid 516.13 -2.3865 2.89 1.085 8 7 211.28 16 3 37 1
TCMC470 C16H12N2O3 4,5-Dimethoxycanthin-6-One 280.08 -1.1642 2.67 2.956 5 0 53.35 4 4 21 0
TCMC495 C7H6O2 4-Hydroxybenzaldehyde 122.04 -0.6527 2.01 1.484 1 1 37.3 2 1 9 0
TCMC525 C15H12O5 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-2,3-Dihydrochromen-4-One 272.07 -1.8144 2.56 0.897 1 3 86.99 4 3 20 0
TCMC527 C27H30O15 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-3-[3,4,5-Trihydroxy-6-[(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxymethyl]Oxan-2-Yl]Oxychromen-4-One 594.16 -5.6787 2.78 -0.654 11 9 245.29 16 5 42 2
TCMC559 C15H10N2O2 5-Methoxycanthinone 250.07 -0.6656 2.67 3.049 4 0 44.12 2 4 19 0
TCMC632 C10H13N5O4 Adenosine 267.1 -2.2791 1.57 -1.809 9 4 139.54 6 3 19 0
TCMC671 C10H16 Alpha-Pinene 136.13 1.5162 2.56 4.177 0 0 0 3 1 10 0
TCMC711 C21H20O10 Apigetrin 432.11 -3.6314 2.67 0.459 6 6 166.14 10 4 31 1
TCMC741 C14H8O4 Athraquinones A 240.04 -1.4482 2.56 2.155 2 2 74.6 2 3 18 0
TCMC747 C15H22O9 Aucubin 346.13 -3.5817 2.12 -2.39 9 6 149.07 10 3 24 1
TCMC811 C16H12O5 Biochanin 284.07 -1.6391 2.67 2.031 1 2 75.99 5 3 21 0
TCMC847 C9H8O4 Caffeic Acid 180.04 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
TCMC850 C8H10N4O2 Caffeine 194.08 -0.4311 1.68 -0.625 6 0 58.44 3 2 14 0
TCMC865 C14H8N2O Canthin-6-One 220.06 -0.2737 2.67 2.809 3 0 34.89 0 4 17 0
TCMC878 C15H14O6 Catechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
TCMC897 C16H18O9 Chlorogenic Acid 354.1 -2.1962 2.23 -0.447 7 6 164.75 11 2 25 1
TCMC913 C15H14O6 Cianidanol 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
TCMC943 C30H48O4 Corosolic Acid 472.36 1.2611 4.32 8.142 4 3 77.76 11 5 34 1
TCMC995 C35H60O6 Daucosterol 576.44 -0.4469 4.65 10.487 6 4 99.38 19 5 41 1
TCMC1004 C15H10O7 Delphinidin 304.06 -2.7618 2.34 0.208 1 7 121.38 7 3 22 1
TCMC1005 C15H10O7.ClH Delphinidin Chloride 303.05 -3.0956 2.34 0.208 1 6 124.21 7 3 22 1
TCMC1081 C12H24O2 Dodecanoate 200.18 -2.7457 2.56 5.294 2 1 37.3 12 0 14 1
TCMC1157 C10H18O Eucalyptol 154.14 1.3109 2.45 2.595 1 0 9.23 3 0 11 0
TCMC1159 C10H12O2 Eugenol 164.08 0.5166 2.34 2.484 0 1 29.46 5 1 12 0
TCMC1189 C11H10O5 Fraxidin 222.05 -0.2939 2.12 0.644 1 1 64.99 5 2 16 0
TCMC1202 C7H6O5 Gallic Acid 170.02 -1.6207 1.68 0.002 2 4 97.99 5 1 12 0
TCMC1204 C15H14O7 Gallocatechin 306.07 -2.9543 2.34 -0.128 1 6 130.61 7 3 22 1
TCMC1206 C21H20O11 Galuteolin 448.1 -4.0917 2.56 -0.075 6 7 186.37 11 4 32 1
TCMC1236 C15H10O5 Genistein 270.05 -2.0476 2.56 1.512 1 3 86.99 4 3 20 0
TCMC1239 C12H20O2 Geranyl Acetate 196.15 2.7188 2.56 3.264 2 0 26.3 10 0 14 0
TCMC1298 C10H13N5O5 Guanosine 283.09 -2.2152 1.46 -1.643 10 6 156.21 6 3 20 1
TCMC1356 C21H20O12 Hyperoside 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
TCMC1403 C21H20O11 Isoorientin 448.1 -4.5805 2.56 -1.042 6 8 197.37 11 4 32 1
TCMC1418 C21H20O10 Isovitexin 432.11 -4.1202 2.67 -0.508 6 7 177.14 10 4 31 1
TCMC1476 C10H20O Levomenthol 156.15 0.6563 2.45 3.211 1 1 20.23 5 1 11 0
TCMC1492 C10H18O Linalool 154.14 2.4692 2.45 2.468 1 1 20.23 8 0 11 0
TCMC1493 C10H18O Linalool (+) 154.14 2.4692 2.45 2.468 1 1 20.23 8 0 11 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
TCMC1516 C15H10O6 Luteolin 286.05 -2.3448 2.45 1.033 1 4 107.22 5 3 21 0
TCMC1544 C10H20O Menthol 156.15 0.6563 2.45 3.211 1 1 20.23 5 1 11 0
TCMC1608 C10H16 Myrcene 136.13 3.0936 2.56 4.17 0 0 0 6 0 10 0
TCMC1611 C14H28O2 Myristic Acid 228.21 -3.3217 2.78 6.432 2 1 37.3 14 0 16 2
TCMC1628 C15H10N2O2 250.07 -0.3255 2.67 2.154 3 0 44.12 2 4 19 0
TCMC1634 C14H8N2O2 236.06 -0.734 2.56 1.635 3 1 55.12 1 4 18 0
TCMC1650 C15H10N2O2 250.07 -0.922 2.67 2.806 4 0 42.31 1 4 19 0
TCMC1654 C16H12N2O3 280.08 -0.9738 2.67 2.151 4 0 51.54 3 4 21 0
TCMC1708 C14H8N2O2 236.06 -0.734 2.56 1.635 3 1 55.12 1 4 18 0
TCMC1712 C15H24O 220.18 1.9144 3 4.607 1 0 12.53 3 3 16 0
TCMC1720 C20H18N2O7 398.11 -2.4809 2.67 0.527 8 4 134.27 7 5 29 0
TCMC1734 C15H12O5 Naringenin 272.07 -1.8144 2.56 0.897 1 3 86.99 4 3 20 0
TCMC1738 C15H26O Nerolidol 222.2 3.7014 3 4.29 1 1 20.23 12 0 16 0
TCMC1739 C12H20O2 Neryl Acetate 196.15 2.7188 2.56 3.264 2 0 26.3 10 0 14 0
TCMC1741 C6H5NO2 Niacin 123.03 -0.2398 1.79 0.637 3 1 50.19 2 1 9 0
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
TCMC1839 C7H6O3 Paraben 138.03 -0.7001 1.9 1.07 2 2 57.53 3 1 10 0
TCMC1955 C7H6O3 Protocatechualdehyde 138.03 -1.113 1.9 0.95 1 2 57.53 3 1 10 0
TCMC1956 C7H6O4 Protocatechuic Acid 154.03 -1.1604 1.79 0.536 2 3 77.76 4 1 11 0
TCMC1982 C15H10O7 Quercetin 302.04 -2.8012 2.34 1.381 2 5 127.45 6 3 22 0
TCMC2014 C15H8O6 Rhein 284.03 -1.688 2.45 0.541 4 3 111.9 4 3 21 0
TCMC2051 C10H8O4 Scopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0
TCMC2052 C16H18O9 Scopolin 354.1 -1.989 2.23 -0.02 6 4 134.91 9 3 25 0
TCMC2105 C18H36O2 Stearic Acid 284.27 -4.4737 3.22 8.708 2 1 37.3 18 0 20 2
TCMC2119 C9H10O5 Syringic Acid 198.05 -0.8037 1.9 0.182 2 2 75.99 7 1 14 0
TCMC2165 C10H14N2O5 Thymidine 242.09 -1.7707 1.79 -1 7 3 102.59 6 2 17 0
TCMC2222 C8H8O4 Vanillic Acid 168.04 -0.7519 1.9 0.626 2 2 66.76 5 1 12 0
TCMC2233 C21H20O10 Vitexin 432.11 -4.1202 2.67 -0.508 6 7 177.14 10 4 31 1
TCMC2324 C10H16 Limonene 136.13 2.1424 2.56 3.729 0 0 0 3 1 10 0
TCMC2366 C15H24O 220.18 1.9144 3 4.607 1 0 12.53 3 3 16 0
TCMC2460 C23H28O12 (1S,4As,7S,7As)-1-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-3-(4-Hydroxybenzoyl)Oxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-7-Hydroxy-7-Methyl-4A,5,6,7A-Tetrahydro-1H-Cyclopenta[C]Pyran-4-Carboxylic Acid 496.16 -2.9437 2.67 0.168 11 6 192.44 14 4 35 2
TCMC2477 C27H30O15 Kaempferol-3-O-Rutinoside 594.16 -5.6787 2.78 -0.654 11 9 245.29 16 5 42 2
TCMC2481 C20H20O8 Artemetin 388.12 -1.563 2.78 1.957 2 1 92.68 12 3 28 0
TCMC2484 C10H18O Terpineol 154.14 1.1223 2.45 1.947 1 1 20.23 5 1 11 0
TCMC2510 C15H26O Nerolidiol 222.2 3.7014 3 4.29 1 1 20.23 12 0 16 0
TCMC2536 C15H10N2O3 Picrasidine Q 266.07 -1.2287 2.56 2.635 5 1 64.35 3 4 20 0
TCMC2539 C10H16 Gamma-Terpinene 136.13 2.4017 2.56 3.852 0 0 0 4 1 10 0
TCMC2541 C10H18O Alpha-Terpineol 154.14 1.1223 2.45 2.369 1 1 20.23 5 1 11 0
TCMC2560 C9H20O Nonanol 144.15 -2.4134 2.34 3.696 1 1 20.23 9 0 10 0
TCMC2616 C20H16O6 Detetrahydroconidendrin 352.09 -1.1037 3 2.015 2 2 85.22 7 4 26 0
TCMC2656 C14H8N2O2 236.06 -0.297 2.56 2.258 2 0 47.46 0 4 18 0
TCMC2679 C19H16O5 Vitrofolal E 324.1 -1.2166 3 2.84 1 2 75.99 8 3 24 0
TCMC2709 C21H20O10 Apigenin-7-O-Glucoside 432.11 -3.6314 2.67 0.459 6 6 166.14 10 4 31 1
TCMC2744 C22H26O11 [(1S,4Ar,5S,7As)-5-Hydroxy-1-[(2R,3S,4R,5R,6S)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-1,4A,5,7A-Tetrahydrocyclopenta[C]Pyran-7-Yl]Methyl 4-Hydroxybenzoate 466.15 -3.6728 2.67 -0.5 10 6 175.37 13 4 33 1
TCMC2786 C22H20O12 Methyl (2S,3S,4S,5R,6S)-6-[5-(5,7-Dihydroxy-4-Oxochromen-2-Yl)-2-Hydroxyphenoxy]-3,4,5-Trihydroxyoxane-2-Carboxylate 476.1 -3.7385 2.56 -0.026 7 6 192.44 12 4 34 1
TCMC2801 C14H10N2O 222.08 -0.3444 2.67 2.551 3 0 34.89 0 4 17 0
TCMC2815 C15H24 Caryophyllene 204.19 3.2289 3.11 6.044 0 0 0 3 2 15 1
TCMC2816 C15H14N2O3 7-Methoxy-Beta-Carboline-1-Propionic Acid 270.1 -0.4216 2.56 1.788 4 2 75.21 6 3 20 0
TCMC2822 C15H24 Alpha-Humulone 204.19 4.1708 3.11 5.94 0 0 0 4 1 15 1

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1. General Information of the Component  
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3. Putative Targets  
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