Component: Angelica sinensis 当归干浸膏


Description of the Component

Component ID
TCMH422
Latin Name
Angelica sinensis
English Name
Chinese Pinyin Name
Dang Gui Gan Jin Gao
中文名
当归干浸膏
TCM Properties
TCM Meridians
Therapeutic Class English
Therapeutic Class Chinese
Functions
Toxicity
NA
Geo-authentic habitats (道地产区)
NA
Reference
CFDA
Barcode ID
ITSAF173-14
Barcode Source
BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID Prescription English Name Prescription Chinese Name
TCMF3421 Bao Xin Ning Capsules 保心宁胶囊
TCMF3431 Bao Xin Ning Tablets 保心宁片
TCMF3639 Bi Yan Kang Tablets 鼻炎康片

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
TCMT11 HIF1A Hypoxia-inducible factor 1 alpha Transcription factor Q16665
TCMT112 ADORA3 Adenosine A3 receptor GPCR P0DMS8
TCMT117 OPRK1 Kappa opioid receptor GPCR P41145
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
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
TCMT159 TYR Tyrosinase Oxidoreductase P14679
TCMT160 HTR7 Serotonin 7 (5-HT7) receptor GPCR P34969
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
TCMT176 SOAT1 Acyl coenzyme A:cholesterol acyltransferase 1 Transferase P35610
TCMT18 GAA Lysosomal alpha-glucosidase Hydrolase P10253
TCMT186 MAOB Monoamine oxidase B Oxidoreductase P27338
TCMT189 DUSP3 Dual specificity protein phosphatase 3 Hydrolase P51452
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
TCMT206 CYP2A6 Cytochrome P450 2A6 Oxidoreductase P11509
TCMT207 BACE1 Beta-secretase 1 Protease P56817
TCMT208 MAOA Monoamine oxidase A Oxidoreductase P21397
TCMT213 SLC22A1 Solute carrier family 22 member 1 Transporter O15245
TCMT219 CYP1A2 Cytochrome P450 1A2 Oxidoreductase P05177
TCMT223 AKR1B1 Aldose reductase Oxidoreductase P15121
TCMT225 CA13 Carbonic anhydrase XIII Lyase Q8N1Q1
TCMT232 ABCB1 P-glycoprotein 1 Transporter P08183
TCMT248 CXCL8 Interleukin-8 Unclassified P10145
TCMT265 GSK3B Glycogen synthase kinase-3 beta Kinase P49841
TCMT267 GABRR1 GABA receptor rho-1 subunit Ion channel P24046
TCMT268 CYP2A13 Cytochrome P450 2A13 Oxidoreductase Q16696
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
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
TCMT327 TRPV1 Vanilloid receptor Ion channel Q8NER1
TCMT33 CYP3A4 Cytochrome P450 3A4 Oxidoreductase P08684
TCMT336 IDO1 Indoleamine 2,3-dioxygenase Oxidoreductase P14902
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
TCMT401 MET Hepatocyte growth factor receptor Kinase P08581
TCMT41 IDH1 Isocitrate dehydrogenase [NADP] cytoplasmic Oxidoreductase O75874
TCMT42 KMT2A Histone-lysine N-methyltransferase MLL Transferase Q03164
TCMT423 EGFR Epidermal growth factor receptor erbB1 Kinase P00533
TCMT45 APP Beta amyloid A4 protein Unclassified P05067
TCMT46 F3 Coagulation factor III Unclassified P13726
TCMT466 MAPK9 c-Jun N-terminal kinase 2 Kinase P45984
TCMT479 AKT1 Serine/threonine-protein kinase AKT Kinase P31749
TCMT507 MAPK14 MAP kinase p38 alpha Kinase Q16539
TCMT555 HDAC6 Histone deacetylase 6 Hydrolase Q9UBN7
TCMT556 HDAC2 Histone deacetylase 2 Hydrolase Q92769
TCMT557 HDAC1 Histone deacetylase 1 Hydrolase Q13547
TCMT571 ADORA2B Adenosine A2b receptor GPCR P29275
TCMT588 DAO D-amino-acid oxidase Oxidoreductase P14920
TCMT592 XDH Xanthine dehydrogenase Oxidoreductase P47989
TCMT597 SLC28A3 Solute carrier family 28 member 3 Transporter Q9HAS3
TCMT6 NFKB1 Nuclear factor NF-kappa-B p105 subunit Transcription factor P19838
TCMT605 EDNRA Endothelin receptor ET-A GPCR P25101
TCMT609 CTSL Cathepsin L Unclassified P07711
TCMT614 EGLN1 Egl nine homolog 1 Oxidoreductase Q9GZT9
TCMT620 HSPA8 Heat shock cognate 71 kDa protein Unclassified P11142
TCMT624 HSP90AB1 Heat shock protein HSP 90-beta Unclassified P08238
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
TCMT67 PPARG Peroxisome proliferator-activated receptor gamma Nuclear receptor P37231
TCMT69 THRB Thyroid hormone receptor beta-1 Nuclear receptor P10828
TCMT690 HDAC3 Histone deacetylase 3 Hydrolase O15379
TCMT691 HDAC8 Histone deacetylase 8 Hydrolase Q9BY41
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
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
TCMT87 CYP2C9 Cytochrome P450 2C9 Oxidoreductase P11712
TCMT95 MPG DNA-3-methyladenine glycosylase Hydrolase P29372
TCMT96 LDHA L-lactate dehydrogenase A chain Oxidoreductase P00338


Targeted Pathogenic Microbes by the Ingredient of Component

Target ID Target Name
TCMT1108 Integrase
TCMT1112 Quinolone resistance protein norA
TCMT1190 Plasmodium falciparum (isolate FcB1 / Columbia)
TCMT1218 Staphylococcus aureus
TCMT1223 Staphylococcus epidermidis
TCMT1226 Klebsiella pneumoniae
TCMT1232 Pseudomonas aeruginosa
TCMT1245 Phytophthora cactorum
TCMT1246 Escherichia coli
TCMT1251 Candida albicans
TCMT1253 Penicillium chrysogenum
TCMT1294 Human parainfluenza virus 3
TCMT1346 Helicobacter pylori
TCMT1349 Helicobacter pylori SS1
TCMT1361 Neisseria meningitidis
TCMT1382 Plasmodium falciparum (isolate K1 / Thailand)
TCMT1408 Colletotrichum gloeosporioides
TCMT1438 Plasmodium falciparum
TCMT1439 Mycobacterium smegmatis
TCMT1442 Leishmania donovani
TCMT1444 Fusarium oxysporum
TCMT1448 Enterobacter aerogenes
TCMT1454 Bacillus subtilis
TCMT1455 Mycobacterium tuberculosis H37Rv
TCMT1458 Filobasidiella neoformans
TCMT1462 Streptococcus mutans
TCMT1463 Mycobacterium tuberculosis
TCMT1465 Entamoeba histolytica

Ingredient Structrues

Ingredient ID: TCMC999
Formula: C10H20O2

Ingredient ID: TCMC985
Formula: C3H7NO2

Ingredient ID: TCMC960
Formula: C10H12O

Ingredient ID: TCMC936
Formula: C14H14O4

Ingredient ID: TCMC924
Formula: C10H20O

Ingredient ID: TCMC923
Formula: C6H8O7

Ingredient ID: TCMC897
Formula: C16H18O9

Ingredient ID: TCMC887
Formula: C16H34O

Ingredient ID: TCMC886
Formula: C18H38O

Ingredient ID: TCMC872
Formula: C10H14O

Ingredient ID: TCMC855
Formula: C16H12O5

Ingredient ID: TCMC847
Formula: C9H8O4

Ingredient ID: TCMC844
Formula: C4H10O

Ingredient ID: TCMC837
Formula: C4H8O2

Ingredient ID: TCMC834
Formula: C4H8O

Ingredient ID: TCMC817
Formula: C16H22O4

Ingredient ID: TCMC801
Formula: C29H50O

Ingredient ID: TCMC787
Formula: C12H8O4

Ingredient ID: TCMC753
Formula: C9H16O4

Ingredient ID: TCMC697
Formula: C11H6O3

Ingredient ID: TCMC69
Formula: C4H6O5

Ingredient ID: TCMC671
Formula: C10H16

Ingredient ID: TCMC65
Formula: C14H14O4

Ingredient ID: TCMC648
Formula: C2H6O

Ingredient ID: TCMC632
Formula: C10H13N5O4

Ingredient ID: TCMC631
Formula: C5H5N5

Ingredient ID: TCMC62
Formula: C16H24O4

Ingredient ID: TCMC610
Formula: C6H12O2

Ingredient ID: TCMC60
Formula: C10H16O

Ingredient ID: TCMC535
Formula: C16H16O5

Ingredient ID: TCMC493
Formula: C8H10O2

Ingredient ID: TCMC402
Formula: C16H32O

Ingredient ID: TCMC401
Formula: C14H12O3

Ingredient ID: TCMC400
Formula: C14H12O3

Ingredient ID: TCMC395
Formula: C9H16O

Ingredient ID: TCMC392
Formula: C11H10

Ingredient ID: TCMC391
Formula: C5H6O

Ingredient ID: TCMC387
Formula: C10H16O

Ingredient ID: TCMC345
Formula: C19H19N7O6

Ingredient ID: TCMC326
Formula: C8H8O3

Ingredient ID: TCMC320
Formula: C8H10O

Ingredient ID: TCMC304
Formula: C10H18O

Ingredient ID: TCMC289
Formula: C5H12O

Ingredient ID: TCMC284
Formula: C10H16

Ingredient ID: TCMC2714
Formula: C20H28O4

Ingredient ID: TCMC27
Formula: C14H14O4

Ingredient ID: TCMC2671
Formula: C8H14O

Ingredient ID: TCMC2588
Formula: C28H30O10

Ingredient ID: TCMC2581
Formula: C12H26O

Ingredient ID: TCMC2578
Formula: C10H12O2

Ingredient ID: TCMC2541
Formula: C10H18O

Ingredient ID: TCMC2539
Formula: C10H16

Ingredient ID: TCMC2526
Formula: C3H7NO2

Ingredient ID: TCMC2510
Formula: C15H26O

Ingredient ID: TCMC2491
Formula: C3H6O2

Ingredient ID: TCMC2484
Formula: C10H18O

Ingredient ID: TCMC2482
Formula: C17H24O

Ingredient ID: TCMC244
Formula: C12H12

Ingredient ID: TCMC2408
Formula: C5H11NO2

Ingredient ID: TCMC2404
Formula: C30H50

Ingredient ID: TCMC2354
Formula: C10H14O

Ingredient ID: TCMC2351
Formula: C14H14O3

Ingredient ID: TCMC2324
Formula: C10H16

Ingredient ID: TCMC2313
Formula: C10H18O

Ingredient ID: TCMC2248
Formula: C12H12O2

Ingredient ID: TCMC2223
Formula: C8H8O3

Ingredient ID: TCMC2222
Formula: C8H8O4

Ingredient ID: TCMC2204
Formula: C9H6O3

Ingredient ID: TCMC2111
Formula: C4H6O4

Ingredient ID: TCMC2107
Formula: C29H48O

Ingredient ID: TCMC2065
Formula: C14H12O3

Ingredient ID: TCMC2062
Formula: C3H7NO3

Ingredient ID: TCMC2051
Formula: C10H8O4

Ingredient ID: TCMC2035
Formula: C10H10O2

Ingredient ID: TCMC1969
Formula: C8H10

Ingredient ID: TCMC1961
Formula: C11H6O3

Ingredient ID: TCMC1956
Formula: C7H6O4

Ingredient ID: TCMC1888
Formula: C28H30O10

Ingredient ID: TCMC1886
Formula: C18H18O5

Ingredient ID: TCMC1884
Formula: C8H6O2

Ingredient ID: TCMC1883
Formula: C8H4O3

Ingredient ID: TCMC1882
Formula: C8H6O4

Ingredient ID: TCMC1871
Formula: C6H6O

Ingredient ID: TCMC1858
Formula: C16H14O4

Ingredient ID: TCMC1843
Formula: C7H8O

Ingredient ID: TCMC1839
Formula: C7H6O3

Ingredient ID: TCMC1834
Formula: C8H8O3

Ingredient ID: TCMC1830
Formula: C16H32O2

Ingredient ID: TCMC182
Formula: C9H8O4

Ingredient ID: TCMC1793
Formula: C17H26O2

Ingredient ID: TCMC1788
Formula: C18H34O2

Ingredient ID: TCMC1785
Formula: C18H35NO

Ingredient ID: TCMC1776
Formula: C8H16O2

Ingredient ID: TCMC1767
Formula: C18H19NO4

Ingredient ID: TCMC1751
Formula: C9H20

Ingredient ID: TCMC1750
Formula: C20H24O9

Ingredient ID: TCMC1741
Formula: C6H5NO2

Ingredient ID: TCMC1728
Formula: C10H8

Ingredient ID: TCMC1719
Formula: C27H43NO2

Ingredient ID: TCMC1712
Formula: C15H24O

Ingredient ID: TCMC170
Formula: C10H14O

Ingredient ID: TCMC1608
Formula: C10H16

Ingredient ID: TCMC1578
Formula: C11H14O2

Ingredient ID: TCMC1551
Formula: C12H8O4

Ingredient ID: TCMC1550
Formula: C2H6O2S

Ingredient ID: TCMC1530
Formula: C6H6O3

Ingredient ID: TCMC1529
Formula: C3H4O4

Ingredient ID: TCMC1513
Formula: C5H9NO2

Ingredient ID: TCMC1496
Formula: C18H30O2

Ingredient ID: TCMC1495
Formula: C18H32O2

Ingredient ID: TCMC1493
Formula: C10H18O

Ingredient ID: TCMC1492
Formula: C10H18O

Ingredient ID: TCMC1490
Formula: C12H14O2

Ingredient ID: TCMC148
Formula: C20H20O6

Ingredient ID: TCMC147
Formula: C3H7NO3

Ingredient ID: TCMC1468
Formula: C20H23N7O7

Ingredient ID: TCMC1459
Formula: C3H7NO2

Ingredient ID: TCMC1395
Formula: C16H14O4

Ingredient ID: TCMC1389
Formula: C10H12O2

Ingredient ID: TCMC1385
Formula: C4H10O

Ingredient ID: TCMC1372
Formula: C8H7N

Ingredient ID: TCMC1315
Formula: C7H14O

Ingredient ID: TCMC1298
Formula: C10H13N5O5

Ingredient ID: TCMC1293
Formula: C7H8O2

Ingredient ID: TCMC1271
Formula: C2H5NO2

Ingredient ID: TCMC1209
Formula: C4H9NO2

Ingredient ID: TCMC1197
Formula: C5H4O2

Ingredient ID: TCMC1196
Formula: C7H8O3

Ingredient ID: TCMC1194
Formula: C4H4O4

Ingredient ID: TCMC1184
Formula: C19H19N7O6

Ingredient ID: TCMC1173
Formula: C10H10O4

Ingredient ID: TCMC1168
Formula: C17H24O2

Ingredient ID: TCMC1145
Formula: C11H12O4

Ingredient ID: TCMC1144
Formula: C4H8O2

Ingredient ID: TCMC1131
Formula: C9H6O4

Ingredient ID: TCMC1101
Formula: C11H12O3

Ingredient ID: TCMC1091
Formula: C5H11NO2

Ingredient ID: TCMC1085
Formula: C5H9NO2

Ingredient ID: TCMC1084
Formula: C5H12N2O2

Ingredient ID: TCMC1072
Formula: C27H42O3

Ingredient ID: TCMC1033
Formula: C12H9NO2

Ingredient ID: TCMC1031
Formula: C16H22O4

Ingredient ID: TCMC1000
Formula: C14H14O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
TCMC27 C14H14O4 (+)-Lomatin 246.09 0.2617 2.56 2.093 2 1 55.76 3 3 18 0
TCMC60 C10H16O (2E,4E)-Deca-2,4-Dienal 152.12 0.0794 2.45 3.682 1 0 17.07 7 0 11 0
TCMC62 C16H24O4 (2E,7S,10E,12R,13R,15S)-12,15-Dihydroxy-7-Methyl-8-Oxabicyclo[11.3.0]Hexadeca-2,10-Dien-9-One 280.17 -0.7041 2.78 2.363 4 2 66.76 3 2 20 0
TCMC65 C14H14O4 (2R)-2-(2-Hydroxypropan-2-Yl)-2,3-Dihydrofuro[3,2-G]Chromen-7-One 246.09 0.2617 2.56 2.093 2 1 55.76 4 3 18 0
TCMC69 C4H6O5 (2R)-2-Hydroxybutanedioic Acid 134.02 -1.0622 1.35 -1.474 5 3 94.83 6 0 9 0
TCMC147 C3H7NO3 (D)-Serine 105.04 -1.5955 1.35 -3.956 4 3 83.55 5 0 7 0
TCMC148 C20H20O6 (E)-(E)-3-(4-Hydroxy-3-Methoxyphenyl)Allyl 3-(4-Hydroxy-3-Methoxyphenyl)Acrylate 356.13 -0.2748 3 3.186 2 2 85.22 12 2 26 0
TCMC170 C10H14O (S)(+)Carvone 150.1 1.5954 2.45 1.756 1 0 17.07 3 1 11 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
TCMC244 C12H12 1,3-Dimethylnaphthalene 156.09 1.284 2.78 6.584 0 0 0 2 2 12 1
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
TCMC289 C5H12O 1-Pentanol 88.09 -1.2614 1.9 1.42 1 1 20.23 5 0 6 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
TCMC320 C8H10O 2,3-Dimethylphenol 122.07 0.8237 2.23 2.479 0 1 20.23 3 1 9 0
TCMC326 C8H8O3 2,4-Dihydroxyacetophenone 152.05 -1.1745 2.01 0.801 1 2 57.53 4 1 11 0
TCMC345 C19H19N7O6 2-[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methylamino]Benzoyl]Amino]Pentanedioic Acid 441.14 -2.6195 2.12 0.045 13 7 209.98 13 3 32 2
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
TCMC391 C5H6O 2-Methylfuran 82.04 0.2854 1.9 1.515 0 0 13.14 1 1 6 0
TCMC392 C11H10 2-Methylnaphthalene 142.08 0.642 2.67 6.261 0 0 0 1 2 11 1
TCMC395 C9H16O 2-Nonenal 140.12 -0.6764 2.34 3.557 1 0 17.07 7 0 10 0
TCMC400 C14H12O3 2-Prop-1-En-2-Yl-2,3-Dihydrofuro[3,2-G]Chromen-7-One 228.08 1.2818 2.67 2.457 1 0 35.53 2 3 17 0
TCMC401 C14H12O3 2-Propan-2-Ylfuro[3,2-G]Chromen-7-One 228.08 0.6888 2.67 3.286 1 0 39.44 3 3 17 0
TCMC402 C16H32O 2-Tetradecyloxirane 240.25 -3.8856 3.11 7.456 1 0 12.53 14 1 17 2
TCMC493 C8H10O2 4-Ethylresorcinol 138.07 -0.6137 2.12 1.551 0 2 40.46 4 1 10 0
TCMC535 C16H16O5 5,7-Dimethoxy-8-(3-Methylbut-2-Enoyl)Chromen-2-One 288.1 1.3521 2.67 1.984 2 0 61.83 8 2 21 0
TCMC610 C6H12O2 Acetic Acid Butyl Ester 116.08 -0.5943 1.9 1.591 2 0 26.3 6 0 8 0
TCMC631 C5H5N5 Adenine 135.05 -1.1703 1.46 -0.664 5 2 80.48 1 2 10 0
TCMC632 C10H13N5O4 Adenosine 267.1 -2.2791 1.57 -1.809 9 4 139.54 6 3 19 0
TCMC648 C2H6O Alcohol 46.04 -0.1076 1.57 -0.076 1 1 20.23 2 0 3 0
TCMC671 C10H16 Alpha-Pinene 136.13 1.5162 2.56 4.177 0 0 0 3 1 10 0
TCMC697 C11H6O3 Angelicin 186.03 0.1159 2.34 2.134 1 0 39.44 0 3 14 0
TCMC753 C9H16O4 Azelaic Acid 188.1 -1.85 2.01 1.713 4 2 74.6 10 0 13 0
TCMC787 C12H8O4 Bergapten 216.04 0.0641 2.34 1.69 1 0 48.67 2 3 16 0
TCMC801 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
TCMC817 C16H22O4 Bis(2-Methylpropyl) Benzene-1,2-Dicarboxylate 278.15 0.9868 2.78 4.49 4 0 52.6 12 1 20 0
TCMC834 C4H8O Butanal 72.06 -0.3943 1.79 1.156 1 0 17.07 3 0 5 0
TCMC837 C4H8O2 Butanoic Acid 88.05 -0.4417 1.68 0.742 2 1 37.3 4 0 6 0
TCMC844 C4H10O Butyl Alcohol 74.07 -0.9734 1.79 0.851 1 1 20.23 4 0 5 0
TCMC847 C9H8O4 Caffeic Acid 180.04 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
TCMC855 C16H12O5 Calycosin 284.07 -1.6391 2.67 2.031 1 2 75.99 5 3 21 0
TCMC872 C10H14O Carvacrol 150.1 0.7546 2.45 3.556 0 1 20.23 5 1 11 0
TCMC886 C18H38O Cetostearyl Alcohol 270.29 -5.0054 3.33 8.817 1 1 20.23 18 0 19 2
TCMC887 C16H34O Cetyl Alcohol 242.26 -4.4294 3.11 7.679 1 1 20.23 16 0 17 2
TCMC897 C16H18O9 Chlorogenic Acid 354.1 -2.1962 2.23 -0.447 7 6 164.75 11 2 25 1
TCMC923 C6H8O7 Citric Acid 192.03 -1.395 1.35 -2.247 7 4 132.13 9 0 13 0
TCMC924 C10H20O Citronellol 156.15 1.4641 2.45 3.286 1 1 20.23 9 0 11 0
TCMC936 C14H14O4 Columbianetin 246.09 0.2617 2.56 2.093 2 1 55.76 4 3 18 0
TCMC960 C10H12O Cuminaldehyde 148.09 0.3805 2.45 4.48 1 0 17.07 4 1 11 0
TCMC985 C3H7NO2 D-Alanine 89.05 -1.0955 1.46 -2.824 3 2 63.32 4 0 6 0
TCMC999 C10H20O2 Decanoic Acid 172.15 -2.1697 2.34 4.156 2 1 37.3 10 0 12 0
TCMC1000 C14H14O4 Decursinol 246.09 0.2617 2.56 2.093 2 1 55.76 3 3 18 0
TCMC1031 C16H22O4 Dibutyl Phthalate 278.15 -1.2084 2.78 5.034 4 0 52.6 12 1 20 1
TCMC1033 C12H9NO2 Dictamnine 199.06 -0.2059 2.45 2.723 1 0 35.26 2 3 15 0
TCMC1072 C27H42O3 Disogenin 414.31 0.2771 4.1 6.041 3 1 38.69 5 6 30 1
TCMC1084 C5H12N2O2 D-Ornithine 132.09 -2.4611 1.57 -3.307 4 3 89.34 7 0 9 0
TCMC1085 C5H9NO2 D-Proline 115.06 -1.3817 1.68 -0.185 3 2 49.33 2 1 8 0
TCMC1091 C5H11NO2 D-Valine 117.08 -0.5739 1.68 -2.169 3 2 63.32 6 0 8 0
TCMC1101 C11H12O3 Elemicin 192.08 0.6742 2.34 2.486 0 0 27.69 4 2 14 0
TCMC1131 C9H6O4 Esculetin 178.03 -0.6506 2.01 0.998 1 2 66.76 2 2 13 0
TCMC1144 C4H8O2 Ethyl Acetate 88.05 0.2715 1.68 0.664 2 0 26.3 4 0 6 0
TCMC1145 C11H12O4 Ethyl Caffeate 208.07 -0.2979 2.23 1.885 2 2 66.76 7 1 15 0
TCMC1168 C17H24O2 Falcarindiol 260.18 0.2016 3.11 4.573 2 2 40.46 11 0 19 0
TCMC1173 C10H10O4 Ferulic Acid 194.06 -0.3908 2.12 1.231 2 2 66.76 6 1 14 0
TCMC1184 C19H19N7O6 Folic Acid 441.14 -2.6195 2.12 0.045 13 7 209.98 13 3 32 2
TCMC1194 C4H4O4 Fumaric Acid 116.01 -0.2252 1.46 -0.416 4 2 74.6 4 0 8 0
TCMC1196 C7H8O3 Furan-2-Ylmethyl Acetate 140.05 -0.2237 1.9 1.123 2 0 39.44 4 1 10 0
TCMC1197 C5H4O2 Furfural 96.02 -0.3465 1.79 1.057 1 0 30.21 1 1 7 0
TCMC1209 C4H9NO2 Gamma-Aminobutyric Acid 103.06 -1.2313 1.57 -0.668 3 2 63.32 5 0 7 0
TCMC1271 C2H5NO2 Glycine 75.03 -1.1915 1.35 -3.35 3 2 63.32 3 0 5 0
TCMC1293 C7H8O2 Guaiacol 124.05 -0.5121 2.01 1.389 0 1 29.46 3 1 9 0
TCMC1298 C10H13N5O5 Guanosine 283.09 -2.2152 1.46 -1.643 10 6 156.21 6 3 20 1
TCMC1315 C7H14O Heptanal 114.1 -1.2583 2.12 2.863 1 0 17.07 6 0 8 0
TCMC1372 C8H7N Indole 117.06 -0.4204 2.23 2.45 1 1 15.79 0 2 9 0
TCMC1385 C4H10O Isobutanol 74.07 0.1242 1.79 0.579 1 1 20.23 4 0 5 0
TCMC1389 C10H12O2 Isoeugenol 164.08 0.3952 2.34 2.805 0 1 29.46 5 1 12 0
TCMC1395 C16H14O4 Isoimperatorin 270.09 1.5296 2.78 2.891 1 0 48.67 5 3 20 0
TCMC1459 C3H7NO2 L-Alanine 89.05 -1.0955 1.46 -2.824 3 2 63.32 4 0 6 0
TCMC1468 C20H23N7O7 Leucovorin 473.17 -3.7521 2.12 -0.04 14 8 216.54 14 3 34 3
TCMC1490 C12H14O2 Ligustilide 190.1 0.8112 2.56 2.819 2 0 26.3 3 2 14 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
TCMC1513 C5H9NO2 L-Proline 115.06 -1.3817 1.68 -0.185 3 2 49.33 2 1 8 0
TCMC1529 C3H4O4 Malonic Acid 104.01 -0.4448 1.35 -0.299 4 2 74.6 4 0 7 0
TCMC1530 C6H6O3 Maltol 126.03 -0.6804 1.79 0.907 3 1 46.53 2 1 9 0
TCMC1550 C2H6O2S Methanesulfonylmethane 94.01 -0.2206 1.35 0.09 2 0 42.52 2 0 5 0
TCMC1551 C12H8O4 Methoxsalen 216.04 0.0641 2.34 1.69 1 0 48.67 2 3 16 0
TCMC1578 C11H14O2 Methyleugenol 178.1 0.9251 2.45 3.003 0 0 18.46 6 1 13 0
TCMC1608 C10H16 Myrcene 136.13 3.0936 2.56 4.17 0 0 0 6 0 10 0
TCMC1712 C15H24O 220.18 1.9144 3 4.607 1 0 12.53 3 3 16 0
TCMC1719 C27H43NO2 413.33 0.0108 4.1 5.845 3 2 41.49 5 6 30 1
TCMC1728 C10H8 Naphthalene 128.06 0 2.56 5.938 0 0 0 0 2 10 1
TCMC1741 C6H5NO2 Niacin 123.03 -0.2398 1.79 0.637 3 1 50.19 2 1 9 0
TCMC1750 C20H24O9 Nodakenin 408.14 -1.4852 2.67 0.985 7 4 134.91 10 4 29 0
TCMC1751 C9H20 Nonane 128.16 -1.9134 2.45 5.461 0 0 0 8 0 9 1
TCMC1767 C18H19NO4 N-Trans-Feruloyl Tyramine 313.13 -0.6499 2.89 3.109 2 3 82.28 10 2 23 0
TCMC1776 C8H16O2 Octanoic Acid 144.12 -1.5937 2.12 3.018 2 1 37.3 8 0 10 0
TCMC1785 C18H35NO Oleamide 281.27 -2.1845 3.22 8.598 2 2 44.08 17 0 20 2
TCMC1788 C18H34O2 Oleic Acid 282.26 -2.3427 3.22 8.192 2 1 37.3 17 0 20 2
TCMC1793 C17H26O2 Oplopandiol 262.19 -0.7426 3.11 4.977 2 2 40.46 12 0 19 0
TCMC1830 C16H32O2 Palmitic Acid 256.24 -3.8977 3 7.57 2 1 37.3 16 0 18 2
TCMC1834 C8H8O3 P-Anisic Acid 152.05 -0.2916 2.01 1.589 2 1 46.53 4 1 11 0
TCMC1839 C7H6O3 Paraben 138.03 -0.7001 1.9 1.07 2 2 57.53 3 1 10 0
TCMC1843 C7H8O P-Cresol 108.06 0.1817 2.12 2.367 0 1 20.23 2 1 8 0
TCMC1858 C16H14O4 Pentosalen 270.09 1.5296 2.78 2.891 1 0 48.67 5 3 20 0
TCMC1871 C6H6O Phenol 94.04 -0.4603 2.01 2.044 0 1 20.23 1 1 7 0
TCMC1882 C8H6O4 Phthalic Acid 166.03 -0.4796 1.9 1.692 4 2 74.6 4 1 12 0
TCMC1883 C8H4O3 Phthalic Anhydride 148.02 -0.2146 2.01 1.963 3 0 43.37 0 2 11 0
TCMC1884 C8H6O2 Phthalide 134.04 -0.0795 2.12 2.255 2 0 26.3 0 2 10 0
TCMC1886 C18H18O5 P-Hydroxyphenethyl Trans-Ferulate 314.12 -0.4352 2.89 3.222 2 2 75.99 10 2 23 0
TCMC1888 C28H30O10 Physalin F 526.18 -1.2344 3.44 -0.4 10 1 137.96 4 9 38 0
TCMC1956 C7H6O4 Protocatechuic Acid 154.03 -1.1604 1.79 0.536 2 3 77.76 4 1 11 0
TCMC1961 C11H6O3 Psoralen 186.03 0.1159 2.34 2.134 1 0 39.44 0 3 14 0
TCMC1969 C8H10 P-Xylene 106.08 1.284 2.34 4.708 0 0 0 2 1 8 0
TCMC2035 C10H10O2 Safrole 162.07 0.726 2.34 2.93 0 0 18.46 2 2 12 0
TCMC2051 C10H8O4 Scopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0
TCMC2062 C3H7NO3 Serine 105.04 -1.5955 1.35 -3.956 4 3 83.55 5 0 7 0
TCMC2065 C14H12O3 Sesalin 228.08 1.1778 2.67 2.932 1 0 35.53 2 3 17 0
TCMC2107 C29H48O Stigmasterol 412.37 1.2566 4.54 11.071 1 1 20.23 12 4 30 1
TCMC2111 C4H6O4 Succinic Acid 118.03 -0.41 1.46 -0.71 4 2 74.6 5 0 8 0
TCMC2204 C9H6O3 Umbelliferone 162.03 -0.1903 2.12 1.532 1 1 46.53 1 2 12 0
TCMC2222 C8H8O4 Vanillic Acid 168.04 -0.7519 1.9 0.626 2 2 66.76 5 1 12 0
TCMC2223 C8H8O3 Vanillin 152.05 -0.7045 2.01 1.04 1 1 46.53 4 1 11 0
TCMC2248 C12H12O2 Z-Butylidenephthalide 188.08 -0.0512 2.56 4.128 2 0 26.3 3 2 14 0
TCMC2313 C10H18O Trans-2-Decenal 154.14 -0.9644 2.45 4.126 1 0 17.07 8 0 11 0
TCMC2324 C10H16 Limonene 136.13 2.1424 2.56 3.729 0 0 0 3 1 10 0
TCMC2351 C14H14O3 Demethylsuberosin 230.09 1.6871 2.67 3.002 1 1 46.53 5 2 17 0
TCMC2354 C10H14O (4-Propan-2-Ylphenyl)Methanol 150.1 0.1242 2.45 3.809 1 1 20.23 5 1 11 0
TCMC2404 C30H50 Squalene 410.39 8.5524 4.76 11.482 0 0 0 23 0 30 2
TCMC2408 C5H11NO2 Valine 117.08 -0.5739 1.68 -2.169 3 2 63.32 6 0 8 0
TCMC2482 C17H24O Falcarinol 244.18 1.0335 3.22 6.197 1 1 20.23 10 0 18 1
TCMC2484 C10H18O Terpineol 154.14 1.1223 2.45 1.947 1 1 20.23 5 1 11 0
TCMC2491 C3H6O2 Propionic Acid 74.04 -0.1537 1.57 0.173 2 1 37.3 3 0 5 0
TCMC2510 C15H26O Nerolidiol 222.2 3.7014 3 4.29 1 1 20.23 12 0 16 0
TCMC2526 C3H7NO2 Alanine 89.05 -1.0955 1.46 -2.824 3 2 63.32 4 0 6 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
TCMC2578 C10H12O2 Isoeugenol 164.08 0.3952 2.34 2.805 0 1 29.46 5 1 12 0
TCMC2581 C12H26O Dodecanol 186.2 -3.2774 2.67 5.403 1 1 20.23 12 0 13 1
TCMC2588 C28H30O10 Physalin G 526.18 -1.0459 3.44 -0.618 10 2 145.66 5 8 38 0
TCMC2671 C8H14O (E)-2-Octenal 126.1 -0.3884 2.23 2.988 1 0 17.07 6 0 9 0
TCMC2714 C20H28O4 11,16-Dihydroxyoctadeca-9,17-Dien-12,14-Diynyl Acetate 332.2 -0.2073 3.22 4.117 4 2 66.76 15 0 24 1

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1. General Information of the Component  
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3. Putative Targets  
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5. Ingredient Data & Chemical Structure Information (Properties, InChI, InChIkey, SMILES, etc.)