Component ID |
TCMH1277 |
Latin Name |
Alpinia officinarum |
English Name |
NA |
Chinese Pinyin Name |
Liang Jiang |
中文名 |
良姜 |
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 |
ITSAK2176-14 |
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 |
| 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 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| 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 |
| 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 |
| TCMT18 | GAA | Lysosomal alpha-glucosidase | Hydrolase | P10253 |
| TCMT187 | AR | Androgen Receptor | Nuclear receptor | P10275 |
| 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 |
| TCMT206 | CYP2A6 | Cytochrome P450 2A6 | Oxidoreductase | P11509 |
| TCMT207 | BACE1 | Beta-secretase 1 | Protease | P56817 |
| TCMT208 | MAOA | Monoamine oxidase A | Oxidoreductase | P21397 |
| TCMT209 | HSD11B2 | 11-beta-hydroxysteroid dehydrogenase 2 | Oxidoreductase | P80365 |
| TCMT212 | SRC | Tyrosine-protein kinase SRC | Kinase | P12931 |
| TCMT214 | MGLL | Monoglyceride lipase | Unclassified | Q99685 |
| 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 |
| TCMT230 | HSD17B3 | Estradiol 17-beta-dehydrogenase 3 | Oxidoreductase | P37058 |
| TCMT232 | ABCB1 | P-glycoprotein 1 | Transporter | P08183 |
| 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 |
| 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 |
| TCMT279 | VDR | Vitamin D receptor | Nuclear receptor | P11473 |
| TCMT280 | AKR1B10 | Aldo-keto reductase family 1 member B10 | Oxidoreductase | O60218 |
| TCMT281 | DPP4 | Dipeptidyl peptidase IV | Unclassified | P27487 |
| TCMT283 | PTPRS | Receptor-type tyrosine-protein phosphatase S | Hydrolase | Q13332 |
| TCMT3 | ALOX15 | Arachidonate 15-lipoxygenase | Oxidoreductase | P16050 |
| TCMT30 | PTGS2 | Cyclooxygenase-2 | Oxidoreductase | P35354 |
| TCMT301 | PTGES | Prostaglandin E synthase | Isomerase | O14684 |
| TCMT306 | MMP2 | Matrix metalloproteinase-2 | Hydrolase | P08253 |
| 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 |
| TCMT329 | NQO2 | Quinone reductase 2 | Oxidoreductase | P16083 |
| TCMT33 | CYP3A4 | Cytochrome P450 3A4 | Oxidoreductase | P08684 |
| TCMT331 | PLG | Plasminogen | Unclassified | P00747 |
| TCMT333 | CTBP2 | C-terminal-binding protein 2 | Unclassified | P56545 |
| TCMT34 | CYP2D6 | Cytochrome P450 2D6 | Oxidoreductase | P10635 |
| 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 |
| TCMT377 | INSR | Insulin receptor | Kinase | P06213 |
| 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 |
| TCMT564 | PRMT1 | Protein-arginine N-methyltransferase 1 | Transferase | Q99873 |
| TCMT565 | EP300 | Histone acetyltransferase p300 | Transferase | Q09472 |
| TCMT566 | NOS2 | Nitric oxide synthase, inducible | Oxidoreductase | P35228 |
| TCMT567 | DNMT1 | DNA (cytosine-5)-methyltransferase 1 | Transferase | P26358 |
| TCMT568 | DNMT3B | DNA (cytosine-5)-methyltransferase 3B | Transferase | Q9UBC3 |
| TCMT570 | ANPEP | Aminopeptidase N | Unclassified | P15144 |
| TCMT591 | ESRRA | Estrogen-related receptor alpha | Nuclear receptor | P11474 |
| 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 |
| 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 |
| TCMT707 | ADORA2A | Adenosine A2a receptor | GPCR | P29274 |
| TCMT714 | ODC1 | Ornithine decarboxylase | Lyase | P11926 |
| 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 |
| TCMT752 | CSNK2A1 | Casein kinase II alpha | Kinase | P68400 |
| 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 |
| TCMT81 | ALOX12 | Arachidonate 12-lipoxygenase | Oxidoreductase | P18054 |
| 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 |
|---|---|
| TCMT1085 | Neuraminidase |
| 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 |
| TCMT1112 | Quinolone resistance protein norA |
| TCMT1121 | Sialidase |
| TCMT1136 | Neuraminidase |
| TCMT1178 | Actinomyces viscosus |
| TCMT1181 | Mycobacterium tuberculosis H37Ra |
| TCMT1208 | Escherichia coli K12 |
| TCMT1212 | Verticillium dahliae |
| TCMT1215 | Pseudomonas aeruginosa PAO1 |
| TCMT1218 | Staphylococcus aureus |
| TCMT1221 | Human herpesvirus 4 |
| TCMT1222 | Plasmodium falciparum D6 |
| TCMT1223 | Staphylococcus epidermidis |
| TCMT1224 | Proteus mirabilis |
| TCMT1226 | Klebsiella pneumoniae |
| TCMT1232 | Pseudomonas aeruginosa |
| TCMT1246 | Escherichia coli |
| TCMT1249 | Dengue virus 2 |
| TCMT1251 | Candida albicans |
| TCMT1253 | Penicillium chrysogenum |
| TCMT1255 | Human immunodeficiency virus 1 |
| TCMT1286 | Bacillus cereus |
| TCMT1313 | Human immunodeficiency virus 2 |
| TCMT1314 | Streptococcus viridans |
| TCMT1346 | Helicobacter pylori |
| TCMT1349 | Helicobacter pylori SS1 |
| TCMT1382 | Plasmodium falciparum (isolate K1 / Thailand) |
| TCMT1412 | Salmonella typhimurium |
| TCMT1438 | Plasmodium falciparum |
| TCMT1439 | Mycobacterium smegmatis |
| 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 |
| TCMT1465 | Entamoeba histolytica |
Ingredient ID: TCMC962
Formula: C21H20O6
Ingredient ID: TCMC874
Formula: C12H11NO4
Ingredient ID: TCMC801
Formula: C29H50O
Ingredient ID: TCMC787
Formula: C12H8O4
Ingredient ID: TCMC710
Formula: C15H10O5
Ingredient ID: TCMC578
Formula: C17H15NO2
Ingredient ID: TCMC556
Formula: C20H24O2
Ingredient ID: TCMC551
Formula: C20H24O4
Ingredient ID: TCMC502
Formula: C11H11NO2
Ingredient ID: TCMC42
Formula: C19H16O4
Ingredient ID: TCMC283
Formula: C16H13NO
Ingredient ID: TCMC2247
Formula: C19H18O6
Ingredient ID: TCMC2086
Formula: C14H13NO4
Ingredient ID: TCMC2051
Formula: C10H8O4
Ingredient ID: TCMC1982
Formula: C15H10O7
Ingredient ID: TCMC1866
Formula: C17H16O5
Ingredient ID: TCMC1771
Formula: C26H30O7
Ingredient ID: TCMC1429
Formula: C15H10O6
Ingredient ID: TCMC1428
Formula: C16H12O6
Ingredient ID: TCMC1404
Formula: C13H10O5
Ingredient ID: TCMC1322
Formula: C21H26O6
Ingredient ID: TCMC1210
Formula: C13H11NO3
Ingredient ID: TCMC1201
Formula: C15H10O5
Ingredient ID: TCMC1159
Formula: C10H12O2
Ingredient ID: TCMC1157
Formula: C10H18O
Ingredient ID: TCMC1097
Formula: C11H11NO3
Ingredient ID: TCMC1058
Formula: C23H24O6
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC42 | C19H16O4 | (1E,4Z,6E)-5-Hydroxy-1,7-Bis(4-Hydroxyphenyl)Hepta-1,4,6-Trien-3-One | 308.1 | -0.5575 | 3.11 | 4.265 | 2 | 3 | 77.76 | 8 | 2 | 23 | 0 |
| TCMC283 | C16H13NO | 1-Methyl-2-Phenylquinolin-4-One | 235.1 | -0.234 | 3 | 5.714 | 2 | 0 | 20.31 | 2 | 3 | 18 | 1 |
| TCMC502 | C11H11NO2 | 4-Methoxy-1-Methylquinolin-2-One | 189.08 | -0.67 | 2.34 | 2.224 | 3 | 0 | 29.54 | 3 | 2 | 14 | 0 |
| TCMC551 | C20H24O4 | 5-Hydroxy-7-(4-Hydroxy-3-Methoxyphenyl)-1-Phenylheptan-3-One | 328.17 | -1.3802 | 3.22 | 4.656 | 2 | 2 | 66.76 | 12 | 2 | 24 | 0 |
| TCMC556 | C20H24O2 | 5-Methoxy-1,7-Diphenylheptan-3-One | 296.18 | -0.4596 | 3.44 | 7.848 | 2 | 0 | 26.3 | 10 | 2 | 22 | 1 |
| TCMC578 | C17H15NO2 | 6-Methoxy-1-Methyl-2-Phenylquinolin-4-One | 265.11 | -0.2858 | 3 | 5.059 | 2 | 0 | 29.54 | 4 | 3 | 20 | 1 |
| TCMC710 | C15H10O5 | Apigenin | 270.05 | -1.8845 | 2.56 | 1.567 | 1 | 3 | 86.99 | 4 | 3 | 20 | 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 |
| TCMC874 | C12H11NO4 | Casimiroin | 233.07 | -0.9727 | 2.23 | 1.052 | 3 | 0 | 48 | 3 | 3 | 17 | 0 |
| TCMC962 | C21H20O6 | Curcumin | 368.13 | -0.6611 | 3.11 | 2.955 | 2 | 3 | 96.22 | 12 | 2 | 27 | 0 |
| TCMC1058 | C23H24O6 | Dimethylcurcumin | 396.16 | 0.1559 | 3.33 | 3.993 | 2 | 1 | 74.22 | 14 | 2 | 29 | 0 |
| TCMC1097 | C11H11NO3 | Edulitine | 205.07 | -0.5639 | 2.23 | 1.466 | 1 | 1 | 51.58 | 5 | 2 | 15 | 0 |
| 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 |
| TCMC1201 | C15H10O5 | Galangin | 270.05 | -1.8806 | 2.56 | 3.511 | 2 | 3 | 86.99 | 4 | 3 | 20 | 0 |
| TCMC1210 | C13H11NO3 | Gamma-Fagarine | 229.07 | -0.2577 | 2.45 | 2.068 | 1 | 0 | 44.49 | 4 | 3 | 17 | 0 |
| TCMC1322 | C21H26O6 | Hexahydrocurcumin | 374.17 | -1.8923 | 3.11 | 1.983 | 2 | 3 | 96.22 | 15 | 2 | 27 | 0 |
| TCMC1404 | C13H10O5 | Isopimpinellin | 246.05 | 0.0123 | 2.34 | 1.246 | 1 | 0 | 57.9 | 4 | 3 | 18 | 0 |
| TCMC1428 | C16H12O6 | Kaempferide | 300.06 | -1.9324 | 2.56 | 2.434 | 2 | 3 | 96.22 | 6 | 3 | 22 | 0 |
| TCMC1429 | C15H10O6 | Kaempferol | 286.05 | -2.3409 | 2.45 | 1.915 | 2 | 4 | 107.22 | 5 | 3 | 21 | 0 |
| TCMC1771 | C26H30O7 | Obacunone | 454.2 | 0.7128 | 3.55 | 2.69 | 6 | 0 | 95.34 | 6 | 6 | 33 | 0 |
| TCMC1866 | C17H16O5 | Phellopterin | 300.1 | 1.4778 | 2.78 | 2.447 | 1 | 0 | 57.9 | 7 | 3 | 22 | 0 |
| TCMC1982 | C15H10O7 | Quercetin | 302.04 | -2.8012 | 2.34 | 1.381 | 2 | 5 | 127.45 | 6 | 3 | 22 | 0 |
| TCMC2051 | C10H8O4 | Scopoletin | 192.04 | -0.2421 | 2.12 | 1.088 | 1 | 1 | 55.76 | 3 | 2 | 14 | 0 |
| TCMC2086 | C14H13NO4 | Skimmianine | 259.08 | -0.3095 | 2.45 | 1.624 | 1 | 0 | 53.72 | 6 | 3 | 19 | 0 |
| TCMC2247 | C19H18O6 | Zapotin | 342.11 | -0.7108 | 2.89 | 2.68 | 1 | 0 | 63.22 | 9 | 3 | 25 | 0 |