Component ID |
TCMH1649 |
Latin Name |
Toxicodendron succedaneum |
English Name |
true lacquertree root |
Chinese Pinyin Name |
Qi Shu Gen |
中文名 |
æ¼†æ ‘æ ¹ |
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 |
GBVK427-11, GBVK426-11 |
Barcode Source |
BOLDSYSTEMS |
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMFx4869 | Luo Fu Shan Feng Shi Gao Yao | 罗浮山风湿è†è¯ |
| 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 |
| TCMT102 | ACP1 | Low molecular weight phosphotyrosine protein phosphatase | Hydrolase | P24666 |
| 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 |
| 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 |
| TCMT162 | UGT1A1 | UDP-glucuronosyltransferase 1-1 | Transferase | P22309 |
| TCMT17 | POLB | DNA polymerase beta | Transferase | P06746 |
| TCMT171 | PTPN6 | Protein-tyrosine phosphatase 1C | Hydrolase | P29350 |
| TCMT174 | HSD11B1 | 11-beta-hydroxysteroid dehydrogenase 1 | Oxidoreductase | P28845 |
| TCMT18 | GAA | Lysosomal alpha-glucosidase | Hydrolase | P10253 |
| TCMT190 | PTPN2 | T-cell protein-tyrosine phosphatase | Hydrolase | P17706 |
| 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 |
| TCMT214 | MGLL | Monoglyceride lipase | Unclassified | Q99685 |
| TCMT215 | CYP1A1 | Cytochrome P450 1A1 | Oxidoreductase | P04798 |
| TCMT217 | CYP2C8 | Cytochrome P450 2C8 | Oxidoreductase | P10632 |
| TCMT219 | CYP1A2 | Cytochrome P450 1A2 | Oxidoreductase | P05177 |
| TCMT22 | ALPI | Intestinal alkaline phosphatase | Hydrolase | P09923 |
| TCMT220 | CYP2J2 | Cytochrome P450 2J2 | Oxidoreductase | P51589 |
| TCMT221 | ABCB11 | Bile salt export pump | Transporter | O95342 |
| TCMT223 | AKR1B1 | Aldose reductase | Oxidoreductase | P15121 |
| TCMT23 | ALPL | Alkaline phosphatase, tissue-nonspecific isozyme | Hydrolase | P05186 |
| TCMT233 | PTPN11 | Protein-tyrosine phosphatase 2C | Hydrolase | Q06124 |
| 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 |
| TCMT273 | NR1H4 | Bile acid receptor FXR | Nuclear receptor | Q96RI1 |
| 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 |
| TCMT3 | ALOX15 | Arachidonate 15-lipoxygenase | Oxidoreductase | P16050 |
| TCMT30 | PTGS2 | Cyclooxygenase-2 | Oxidoreductase | P35354 |
| 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 |
| TCMT33 | CYP3A4 | Cytochrome P450 3A4 | Oxidoreductase | P08684 |
| TCMT331 | PLG | Plasminogen | Unclassified | P00747 |
| 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 |
| 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 |
| 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 |
| TCMT563 | CDC25B | Dual specificity phosphatase Cdc25B | Hydrolase | P30305 |
| TCMT566 | NOS2 | Nitric oxide synthase, inducible | Oxidoreductase | P35228 |
| TCMT575 | PLA2G2A | Phospholipase A2 group IIA | Hydrolase | P14555 |
| TCMT592 | XDH | Xanthine dehydrogenase | Oxidoreductase | P47989 |
| TCMT598 | TOP1 | DNA topoisomerase I | Isomerase | P11387 |
| TCMT6 | NFKB1 | Nuclear factor NF-kappa-B p105 subunit | Transcription factor | P19838 |
| TCMT601 | F2 | Thrombin | Unclassified | P00734 |
| TCMT61 | MCL1 | Induced myeloid leukemia cell differentiation protein Mcl-1 | Unclassified | Q07820 |
| TCMT614 | EGLN1 | Egl nine homolog 1 | Oxidoreductase | Q9GZT9 |
| TCMT624 | HSP90AB1 | Heat shock protein HSP 90-beta | Unclassified | P08238 |
| TCMT629 | ABCC1 | Multidrug resistance-associated protein 1 | Transporter | P33527 |
| TCMT63 | PPARA | Peroxisome proliferator-activated receptor alpha | Nuclear receptor | Q07869 |
| TCMT640 | CTSD | Cathepsin D | Unclassified | P07339 |
| TCMT65 | HSD17B1 | Estradiol 17-beta-dehydrogenase 1 | Oxidoreductase | P14061 |
| TCMT66 | HSD17B2 | Estradiol 17-beta-dehydrogenase 2 | Oxidoreductase | P37059 |
| TCMT666 | VCP | Transitional endoplasmic reticulum ATPase | Transporter | P55072 |
| 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 |
| TCMT737 | APOBEC3G | DNA dC->dU-editing enzyme APOBEC-3G | Unclassified | Q9HC16 |
| 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 |
| 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 |
|---|---|
| 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 |
| TCMT1107 | Protease |
| TCMT1108 | Integrase |
| TCMT1109 | Reverse transcriptase |
| TCMT1121 | Sialidase |
| TCMT1136 | Neuraminidase |
| TCMT1170 | Enterobacter cloacae |
| TCMT1172 | Staphylococcus aureus subsp. aureus RN4220 |
| TCMT1174 | Mycobacterium bovis BCG |
| TCMT1178 | Actinomyces viscosus |
| TCMT1179 | Escherichia coli ATCC 8739 |
| TCMT1181 | Mycobacterium tuberculosis H37Ra |
| TCMT1183 | Candida albicans SC5314 |
| TCMT1184 | Mycobacterium fortuitum |
| TCMT1185 | Mycobacterium phlei |
| TCMT1189 | Pseudomonas fluorescens |
| TCMT1193 | Staphylococcus |
| TCMT1195 | Streptococcus pasteurianus |
| TCMT1196 | Salmonella |
| TCMT1197 | Shigella sp. |
| TCMT1198 | Serratia marcescens |
| TCMT1200 | Bacillus thuringiensis |
| TCMT1208 | Escherichia coli K12 |
| TCMT1212 | Verticillium dahliae |
| TCMT1214 | Enterococcus faecium |
| TCMT1216 | Vibrio cholerae |
| TCMT1217 | Bacillus anthracis |
| TCMT1218 | Staphylococcus aureus |
| TCMT1222 | Plasmodium falciparum D6 |
| TCMT1223 | Staphylococcus epidermidis |
| TCMT1224 | Proteus mirabilis |
| TCMT1226 | Klebsiella pneumoniae |
| TCMT1227 | Streptococcus |
| TCMT1229 | Enterococcus faecalis |
| TCMT1232 | Pseudomonas aeruginosa |
| TCMT1236 | Mycobacterium bovis |
| TCMT1239 | Mycobacterium marinum |
| TCMT1243 | Aspergillus flavus |
| TCMT1246 | Escherichia coli |
| TCMT1248 | Hepatitis C virus |
| TCMT1249 | Dengue virus 2 |
| TCMT1251 | Candida albicans |
| TCMT1255 | Human immunodeficiency virus 1 |
| TCMT1262 | Mycoplasma putrefaciens |
| TCMT1266 | Mycobacterium abscessus |
| TCMT1267 | Mycobacterium chelonae |
| TCMT1268 | Nocardia farcinica |
| TCMT1269 | Mycobacterium ulcerans |
| TCMT1270 | Streptomyces coelicolor |
| TCMT1271 | Shigella flexneri |
| TCMT1273 | Pseudomonas putida |
| TCMT1275 | Erwinia chrysanthemi |
| TCMT1278 | Pseudomonas |
| TCMT1279 | Staphylococcus aureus subsp. aureus |
| TCMT1280 | Salmonella sp. |
| TCMT1286 | Bacillus cereus |
| TCMT1287 | Bacillus subtilis subsp. spizizenii ATCC 6633 |
| TCMT1289 | Shigella dysenteriae |
| TCMT1303 | Bacillus |
| TCMT1305 | Salmonella enteritidis |
| TCMT1311 | Pseudomonas tolaasii |
| TCMT1325 | Mycobacterium gordonae |
| TCMT1326 | Shigella |
| TCMT1328 | Enterococcus avium |
| TCMT1329 | Bacillus fortis |
| TCMT1330 | Salmonella enterica subsp. enterica serovar Paratyphi B |
| TCMT1331 | Acinetobacter sp. |
| TCMT1346 | Helicobacter pylori |
| TCMT1349 | Helicobacter pylori SS1 |
| TCMT1353 | Plasmodium yoelii |
| TCMT1382 | Plasmodium falciparum (isolate K1 / Thailand) |
| TCMT1410 | Listeria monocytogenes |
| TCMT1412 | Salmonella typhimurium |
| TCMT1438 | Plasmodium falciparum |
| TCMT1439 | Mycobacterium smegmatis |
| TCMT1442 | Leishmania donovani |
| TCMT1443 | Leishmania amazonensis |
| TCMT1444 | Fusarium oxysporum |
| TCMT1448 | Enterobacter aerogenes |
| TCMT1454 | Bacillus subtilis |
| TCMT1455 | Mycobacterium tuberculosis H37Rv |
| TCMT1458 | Filobasidiella neoformans |
| TCMT1460 | Mycobacterium intracellulare |
| TCMT1461 | Salmonella enterica subsp. enterica serovar Gallinarum |
| TCMT1462 | Streptococcus mutans |
| TCMT1463 | Mycobacterium tuberculosis |
| TCMT1465 | Entamoeba histolytica |
Ingredient ID: TCMC969
Formula: C15H23NO4
Ingredient ID: TCMC680
Formula: C30H18O10
Ingredient ID: TCMC476
Formula: C15H23NO4
Ingredient ID: TCMC432
Formula: C23H34O4
Ingredient ID: TCMC2501
Formula: C14H15N3O2
Ingredient ID: TCMC2216
Formula: C30H48O3
Ingredient ID: TCMC2111
Formula: C4H6O4
Ingredient ID: TCMC2108
Formula: C21H39N7O12
Ingredient ID: TCMC207
Formula: C25H36O6
Ingredient ID: TCMC2031
Formula: C27H30O16
Ingredient ID: TCMC1986
Formula: C21H20O11
Ingredient ID: TCMC1982
Formula: C15H10O7
Ingredient ID: TCMC1786
Formula: C30H48O3
Ingredient ID: TCMC1732
Formula: C15H23NO4
Ingredient ID: TCMC1610
Formula: C21H20O12
Ingredient ID: TCMC1609
Formula: C15H10O8
Ingredient ID: TCMC1324
Formula: C30H18O10
Ingredient ID: TCMC1252
Formula: C23H34O5
Ingredient ID: TCMC1174
Formula: C15H10O6
Ingredient ID: TCMC115
Formula: C20H22N2O4
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC115 | C20H22N2O4 | (3S,6S)-3,6-Bis-(4-Hydroxy-Benzyl)-1,4-Dimethyl-Piperazine-2,5-Dione | 354.16 | -2.175 | 3 | 2.174 | 4 | 2 | 81.08 | 8 | 3 | 26 | 0 |
| TCMC207 | C25H36O6 | [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14-Dihydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Acetate | 432.25 | -0.4197 | 3.55 | 3.395 | 6 | 2 | 93.06 | 8 | 5 | 31 | 0 |
| TCMC432 | C23H34O4 | 3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3,14-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-2H-Furan-5-One | 374.25 | -0.0325 | 3.55 | 3.685 | 4 | 2 | 66.76 | 5 | 5 | 27 | 0 |
| TCMC476 | C15H23NO4 | 4-[(2R)-2-[(1R,3R,5S)-3,5-Dimethyl-2-Oxocyclohexyl]-2-Hydroxyethyl]Piperidine-2,6-Dione | 281.16 | -1.1984 | 2.56 | 1.416 | 5 | 2 | 86.96 | 7 | 2 | 20 | 0 |
| TCMC680 | C30H18O10 | Amentoflavone | 538.09 | -3.769 | 3.66 | 2.302 | 2 | 6 | 173.98 | 9 | 6 | 40 | 1 |
| TCMC969 | C15H23NO4 | Cycloheximide | 281.16 | -1.1984 | 2.56 | 1.416 | 5 | 2 | 86.96 | 7 | 2 | 20 | 0 |
| TCMC1174 | C15H10O6 | Fisetin | 286.05 | -2.3409 | 2.45 | 2.344 | 2 | 4 | 107.22 | 5 | 3 | 21 | 0 |
| TCMC1252 | C23H34O5 | Gitoxigenin | 390.24 | -0.7988 | 3.44 | 2.655 | 5 | 3 | 86.99 | 6 | 5 | 28 | 0 |
| TCMC1324 | C30H18O10 | Hinokiflavone | 538.09 | -3.4628 | 3.66 | 3.189 | 2 | 5 | 162.98 | 9 | 6 | 40 | 0 |
| TCMC1609 | C15H10O8 | Myricetin | 318.04 | -3.2615 | 2.23 | 0.847 | 2 | 6 | 147.68 | 7 | 3 | 23 | 1 |
| TCMC1610 | C21H20O12 | Myricitrin | 464.1 | -4.8524 | 2.45 | -0.185 | 6 | 8 | 206.6 | 12 | 4 | 33 | 1 |
| TCMC1732 | C15H23NO4 | Naramycin B | 281.16 | -1.1984 | 2.56 | 1.416 | 5 | 2 | 86.96 | 7 | 2 | 20 | 0 |
| TCMC1786 | C30H48O3 | Oleanolic_Acid | 456.36 | 2.1298 | 4.43 | 9.052 | 3 | 2 | 57.53 | 10 | 5 | 33 | 1 |
| TCMC1982 | C15H10O7 | Quercetin | 302.04 | -2.8012 | 2.34 | 1.381 | 2 | 5 | 127.45 | 6 | 3 | 22 | 0 |
| TCMC1986 | C21H20O11 | Quercitrin | 448.1 | -4.3921 | 2.56 | 0.349 | 6 | 7 | 186.37 | 11 | 4 | 32 | 1 |
| TCMC2031 | C27H30O16 | Rutin | 610.15 | -6.139 | 2.67 | -1.188 | 11 | 10 | 265.52 | 17 | 5 | 43 | 2 |
| TCMC2108 | C21H39N7O12 | Streptomycin | 581.27 | -5.8504 | 1.68 | -3.511 | 19 | 14 | 331.43 | 22 | 3 | 40 | 3 |
| TCMC2111 | C4H6O4 | Succinic Acid | 118.03 | -0.41 | 1.46 | -0.71 | 4 | 2 | 74.6 | 5 | 0 | 8 | 0 |
| TCMC2216 | C30H48O3 | Ursolic Acid | 456.36 | 1.4838 | 4.43 | 8.954 | 3 | 2 | 57.53 | 10 | 5 | 33 | 1 |
| TCMC2501 | C14H15N3O2 | Dl-Isoindolmycin | 257.12 | -0.8204 | 2.45 | 2.256 | 5 | 2 | 69.97 | 5 | 3 | 19 | 0 |