Component ID |
TCMH382 |
Latin Name |
Allium sativum |
English Name |
Garlic |
Chinese Pinyin Name |
Da Suan |
中文名 |
大蒜 |
TCM Properties |
Warm,Pungent |
TCM Meridians |
Lung,Spleen,Stomach |
Therapeutic Class English |
Toxication reduction, anthelmintic, dampness removal, and itching control |
Therapeutic Class Chinese |
解毒杀虫燥湿止痒 |
Functions |
Toxication reduction, anthelmintic, dampness removal, and itching control |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
PCCMN277-14, GBVY287-14, GBVX3140-15 |
Barcode Source |
BOLDSYSTEMS |
Prescription ID | Prescription English Name | Prescription Chinese Name |
---|---|---|
TCMFx1442 | Awei Huapi Plaster | 阿魏化痞膏 |
TCMFx2622 | Awei Huapi Plaster | 阿魏化痞膏 |
TCMFx3418 | Die Da Wan Hua You | 跌打万花油 |
TCMFx665 | Qing E Pills | 青娥丸 |
TCMFx5694 | Shang Ke Wan Hua You | 伤科万花油 |
TCMFx5496 | Shen Ning San Capsules | 肾宁散胶囊 |
TCMF1007 | Yin Dan Xin Nao Tong Ruan Capsule | 银丹心脑通软胶囊 |
TCMFx6269 | Zhen Kan Powder | 镇坎散 |
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 |
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 |
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 |
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 |
TCMT174 | HSD11B1 | 11-beta-hydroxysteroid dehydrogenase 1 | Oxidoreductase | P28845 |
TCMT18 | GAA | Lysosomal alpha-glucosidase | Hydrolase | P10253 |
TCMT187 | AR | Androgen Receptor | Nuclear receptor | P10275 |
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 |
TCMT213 | SLC22A1 | Solute carrier family 22 member 1 | Transporter | O15245 |
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 |
TCMT221 | ABCB11 | Bile salt export pump | Transporter | O95342 |
TCMT223 | AKR1B1 | Aldose reductase | Oxidoreductase | P15121 |
TCMT236 | ESR2 | Estrogen receptor beta | Nuclear receptor | Q92731 |
TCMT239 | PIM1 | Serine/threonine-protein kinase PIM1 | Kinase | P11309 |
TCMT240 | AMY1A | Salivary alpha-amylase | Unclassified | P04745 |
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 |
TCMT283 | PTPRS | Receptor-type tyrosine-protein phosphatase S | Hydrolase | Q13332 |
TCMT295 | MMP1 | Matrix metalloproteinase-1 | Hydrolase | P03956 |
TCMT296 | ADORA1 | Adenosine A1 receptor | GPCR | P30542 |
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 |
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 |
TCMT340 | GLRA1 | Glycine receptor subunit alpha-1 | Ion channel | P23415 |
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 |
TCMT559 | ADRB2 | Beta-2 adrenergic receptor | GPCR | P07550 |
TCMT571 | ADORA2B | Adenosine A2b receptor | GPCR | P29275 |
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 |
TCMT6 | NFKB1 | Nuclear factor NF-kappa-B p105 subunit | Transcription factor | P19838 |
TCMT601 | F2 | Thrombin | Unclassified | P00734 |
TCMT609 | CTSL | Cathepsin L | Unclassified | P07711 |
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 |
TCMT647 | ADRA2B | Alpha-2b adrenergic receptor | GPCR | P18089 |
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 |
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 |
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 |
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 |
TCMT905 | P2RX1 | P2X purinoceptor 1 | Ion channel | P51575 |
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 |
TCMT1108 | Integrase |
TCMT1109 | Reverse transcriptase |
TCMT1121 | Sialidase |
TCMT1136 | Neuraminidase |
TCMT1178 | Actinomyces viscosus |
TCMT1207 | Legionella pneumophila |
TCMT1208 | Escherichia coli K12 |
TCMT1212 | Verticillium dahliae |
TCMT1218 | Staphylococcus aureus |
TCMT1222 | Plasmodium falciparum D6 |
TCMT1223 | Staphylococcus epidermidis |
TCMT1226 | Klebsiella pneumoniae |
TCMT1232 | Pseudomonas aeruginosa |
TCMT1246 | Escherichia coli |
TCMT1251 | Candida albicans |
TCMT1253 | Penicillium chrysogenum |
TCMT1286 | Bacillus cereus |
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 |
TCMT1454 | Bacillus subtilis |
TCMT1455 | Mycobacterium tuberculosis H37Rv |
TCMT1458 | Filobasidiella neoformans |
TCMT1462 | Streptococcus mutans |
TCMT1465 | Entamoeba histolytica |
Ingredient ID: TCMC994
Formula: C4H7NO4
Ingredient ID: TCMC985
Formula: C3H7NO2
Ingredient ID: TCMC948
Formula: C9H8O3
Ingredient ID: TCMC922
Formula: C10H16O
Ingredient ID: TCMC886
Formula: C18H38O
Ingredient ID: TCMC847
Formula: C9H8O4
Ingredient ID: TCMC80
Formula: C5H9NO3S
Ingredient ID: TCMC734
Formula: C4H7NO4
Ingredient ID: TCMC731
Formula: C6H8O6
Ingredient ID: TCMC72
Formula: C5H10N2O3
Ingredient ID: TCMC6940
Formula: C9H14OS3
Ingredient ID: TCMC6789
Formula: C6H10OS2
Ingredient ID: TCMC67
Formula: C4H9NO2Se
Ingredient ID: TCMC661
Formula: C3H6O
Ingredient ID: TCMC657
Formula: C6H10S3
Ingredient ID: TCMC656
Formula: C6H10OS2
Ingredient ID: TCMC648
Formula: C2H6O
Ingredient ID: TCMC632
Formula: C10H13N5O4
Ingredient ID: TCMC620
Formula: C5H9NO3S
Ingredient ID: TCMC6180
Formula: C6H10O2S2
Ingredient ID: TCMC612
Formula: C3H6O
Ingredient ID: TCMC607
Formula: C2H4O
Ingredient ID: TCMC6005
Formula: C51H84O24
Ingredient ID: TCMC5220
Formula: C2H6OS2
Ingredient ID: TCMC5031
Formula: C4H8S2
Ingredient ID: TCMC4898
Formula: C9H14O2S3
Ingredient ID: TCMC4767
Formula: C4H10S3
Ingredient ID: TCMC4750
Formula: C4H6S2
Ingredient ID: TCMC4749
Formula: C4H6S2
Ingredient ID: TCMC460
Formula: C4H8OS
Ingredient ID: TCMC4575
Formula: C6H8OS2
Ingredient ID: TCMC4530
Formula: C3H4S2
Ingredient ID: TCMC4433
Formula: C5H6S3
Ingredient ID: TCMC4210
Formula: C15H22N4O2S2
Ingredient ID: TCMC4033
Formula: C8H14S
Ingredient ID: TCMC4024
Formula: C12H18O4
Ingredient ID: TCMC4015
Formula: C4H8S5
Ingredient ID: TCMC4013
Formula: C6H12S3
Ingredient ID: TCMC4012
Formula: C4H8S4
Ingredient ID: TCMC4007
Formula: C6H12S2
Ingredient ID: TCMC3956
Formula: C6H10O7
Ingredient ID: TCMC359
Formula: C5H11NO2Se
Ingredient ID: TCMC356
Formula: C6H11NO2S
Ingredient ID: TCMC3509
Formula: C3H6O
Ingredient ID: TCMC35
Formula: C21H24O7
Ingredient ID: TCMC3294
Formula: C12H18O4
Ingredient ID: TCMC3273
Formula: C6H12S
Ingredient ID: TCMC3265
Formula: C6H10S4
Ingredient ID: TCMC3212
Formula: C4H8S
Ingredient ID: TCMC3201
Formula: C4H8S2
Ingredient ID: TCMC3199
Formula: C4H8S3
Ingredient ID: TCMC3139
Formula: C10H13N5O4
Ingredient ID: TCMC3130
Formula: C2H6S3
Ingredient ID: TCMC3112
Formula: C4H10S2
Ingredient ID: TCMC3111
Formula: C6H12S2
Ingredient ID: TCMC3055
Formula: C6H14S2
Ingredient ID: TCMC3052
Formula: C4H6S
Ingredient ID: TCMC2858
Formula: O2S
Ingredient ID: TCMC2857
Formula: C2H6S
Ingredient ID: TCMC2594
Formula: C6H13NO2
Ingredient ID: TCMC2583
Formula: C6H14S4
Ingredient ID: TCMC2526
Formula: C3H7NO2
Ingredient ID: TCMC2408
Formula: C5H11NO2
Ingredient ID: TCMC2371
Formula: C5H2Br2O2
Ingredient ID: TCMC2222
Formula: C8H8O4
Ingredient ID: TCMC2200
Formula: C9H11NO3
Ingredient ID: TCMC2197
Formula: C11H12N2O2
Ingredient ID: TCMC2144
Formula: C8H20N.ClH
Ingredient ID: TCMC2084
Formula: C11H12O5
Ingredient ID: TCMC2062
Formula: C3H7NO3
Ingredient ID: TCMC2059
Formula: C5H11NO2Se
Ingredient ID: TCMC1982
Formula: C15H10O7
Ingredient ID: TCMC1976
Formula: C8H11NO3
Ingredient ID: TCMC1975
Formula: C8H12N2O2
Ingredient ID: TCMC1974
Formula: C8H10NO6P
Ingredient ID: TCMC1973
Formula: C8H9NO3
Ingredient ID: TCMC1956
Formula: C7H6O4
Ingredient ID: TCMC1854
Formula: C5H10O
Ingredient ID: TCMC1839
Formula: C7H6O3
Ingredient ID: TCMC182
Formula: C9H8O4
Ingredient ID: TCMC1737
Formula: C10H18O
Ingredient ID: TCMC1659
Formula: C20H19NO5
Ingredient ID: TCMC158
Formula: C2H6S2
Ingredient ID: TCMC1554
Formula: C4H9NO2S
Ingredient ID: TCMC1513
Formula: C5H9NO2
Ingredient ID: TCMC1512
Formula: C9H11NO2
Ingredient ID: TCMC1480
Formula: C5H9NO4
Ingredient ID: TCMC147
Formula: C3H7NO3
Ingredient ID: TCMC1459
Formula: C3H7NO2
Ingredient ID: TCMC1429
Formula: C15H10O6
Ingredient ID: TCMC1405
Formula: C3H8O
Ingredient ID: TCMC1388
Formula: C11H10O4
Ingredient ID: TCMC1331
Formula: C6H9N3O2
Ingredient ID: TCMC1271
Formula: C2H5NO2
Ingredient ID: TCMC1264
Formula: C5H10N2O3
Ingredient ID: TCMC1238
Formula: C10H18O
Ingredient ID: TCMC1173
Formula: C10H10O4
Ingredient ID: TCMC1091
Formula: C5H11NO2
Ingredient ID: TCMC1088
Formula: C11H12N2O2
Ingredient ID: TCMC1085
Formula: C5H9NO2
Ingredient ID: TCMC1084
Formula: C5H12N2O2
Ingredient ID: TCMC1075
Formula: C6H13NO2
Ingredient ID: TCMC1028
Formula: C6H10S2
Ingredient ID: TCMC1027
Formula: C6H10S
Ingredient ID: TCMC1023
Formula: C5H9NO4
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC35 | C21H24O7 | (10-Acetyloxy-8,8-Dimethyl-2-Oxo-9,10-Dihydropyrano[2,3-F]Chromen-9-Yl) 3-Methylbutanoate | 388.15 | 1.0446 | 3 | 3.873 | 5 | 0 | 88.13 | 11 | 3 | 28 | 0 |
TCMC67 | C4H9NO2Se | (2R)-2-Amino-3-Methylselanylpropanoic Acid | 182.98 | -1.0329 | 1.46 | -2.466 | 3 | 2 | 63.32 | 6 | 0 | 8 | 0 |
TCMC72 | C5H10N2O3 | (2R)-5-Amino-2-Azaniumyl-5-Oxopentanoate | 146.07 | -1.4816 | 1.46 | -2.943 | 5 | 4 | 107.4 | 7 | 0 | 10 | 0 |
TCMC80 | C5H9NO3S | (2S)-2-Acetamido-3-Sulfanylpropanoic Acid | 163.03 | 0.054 | 1.46 | 0.047 | 4 | 2 | 108.69 | 7 | 0 | 10 | 0 |
TCMC147 | C3H7NO3 | (D)-Serine | 105.04 | -1.5955 | 1.35 | -3.956 | 4 | 3 | 83.55 | 5 | 0 | 7 | 0 |
TCMC158 | C2H6S2 | (Methyldisulfanyl)Methane | 93.99 | 1.3858 | 1.46 | 1.566 | 0 | 0 | 50.6 | 3 | 0 | 4 | 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 |
TCMC356 | C6H11NO2S | 2-Amino-3-Prop-2-Enylsulfanylpropanoic Acid | 161.05 | 0.1745 | 1.68 | -1.861 | 3 | 2 | 88.62 | 7 | 0 | 10 | 0 |
TCMC359 | C5H11NO2Se | 2-Amino-4-Methylselanylbutanoic Acid | 197 | -1.3209 | 1.57 | -2.108 | 3 | 2 | 63.32 | 7 | 0 | 9 | 0 |
TCMC460 | C4H8OS | 3-Methylsulfanylpropanal | 104.03 | 0.5469 | 1.68 | 1.2 | 1 | 0 | 42.37 | 4 | 0 | 6 | 0 |
TCMC607 | C2H4O | Acetaldehyde | 44.03 | -0.1825 | 1.57 | 0.334 | 1 | 0 | 17.07 | 1 | 0 | 3 | 0 |
TCMC612 | C3H6O | Acetone | 58.04 | -0.244 | 1.68 | 0.185 | 1 | 0 | 17.07 | 2 | 0 | 4 | 0 |
TCMC620 | C5H9NO3S | Acetylcysteine | 163.03 | 0.054 | 1.46 | 0.047 | 4 | 2 | 108.69 | 7 | 0 | 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 |
TCMC656 | C6H10OS2 | Allicin | 162.02 | 1.5076 | 1.79 | 0.237 | 1 | 0 | 61.58 | 5 | 0 | 9 | 0 |
TCMC657 | C6H10S3 | Allitridin | 177.99 | 3.21 | 1.79 | 2.521 | 0 | 0 | 75.9 | 6 | 0 | 9 | 0 |
TCMC661 | C3H6O | Allyl Alcohol | 58.04 | 0.2588 | 1.68 | 0.116 | 1 | 1 | 20.23 | 2 | 0 | 4 | 0 |
TCMC731 | C6H8O6 | Ascorbate | 176.03 | -1.7593 | 1.46 | -0.178 | 6 | 4 | 107.22 | 6 | 1 | 12 | 0 |
TCMC734 | C4H7NO4 | Aspartic Acid | 133.04 | -1.3518 | 1.35 | -3.707 | 5 | 3 | 100.62 | 6 | 0 | 9 | 0 |
TCMC847 | C9H8O4 | Caffeic Acid | 180.04 | -0.7993 | 2.01 | 1.141 | 2 | 3 | 77.76 | 5 | 1 | 13 | 0 |
TCMC886 | C18H38O | Cetostearyl Alcohol | 270.29 | -5.0054 | 3.33 | 8.817 | 1 | 1 | 20.23 | 18 | 0 | 19 | 2 |
TCMC922 | C10H16O | Citral | 152.12 | 2.4893 | 2.45 | 2.701 | 1 | 0 | 17.07 | 7 | 0 | 11 | 0 |
TCMC948 | C9H8O3 | Coumaric Acid | 164.05 | -0.339 | 2.12 | 1.886 | 2 | 2 | 57.53 | 4 | 1 | 12 | 0 |
TCMC985 | C3H7NO2 | D-Alanine | 89.05 | -1.0955 | 1.46 | -2.824 | 3 | 2 | 63.32 | 4 | 0 | 6 | 0 |
TCMC994 | C4H7NO4 | D-Aspartate | 133.04 | -1.3518 | 1.35 | -3.707 | 5 | 3 | 100.62 | 6 | 0 | 9 | 0 |
TCMC1023 | C5H9NO4 | D-Glutamate | 147.05 | -1.6398 | 1.46 | -3.349 | 5 | 3 | 100.62 | 7 | 0 | 10 | 0 |
TCMC1027 | C6H10S | Diallyl Sulfide | 114.05 | 2.0288 | 2.01 | 2.011 | 0 | 0 | 25.3 | 4 | 0 | 7 | 0 |
TCMC1028 | C6H10S2 | Diallyldisulfide | 146.02 | 2.6194 | 1.9 | 2.266 | 0 | 0 | 50.6 | 5 | 0 | 8 | 0 |
TCMC1075 | C6H13NO2 | D-Leucine | 131.09 | -0.3183 | 1.79 | -1.389 | 3 | 2 | 63.32 | 7 | 0 | 9 | 0 |
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 |
TCMC1088 | C11H12N2O2 | D-Tryptophan | 204.09 | -1.5048 | 2.23 | -0.96 | 4 | 3 | 79.11 | 5 | 2 | 15 | 0 |
TCMC1091 | C5H11NO2 | D-Valine | 117.08 | -0.5739 | 1.68 | -2.169 | 3 | 2 | 63.32 | 6 | 0 | 8 | 0 |
TCMC1173 | C10H10O4 | Ferulic Acid | 194.06 | -0.3908 | 2.12 | 1.231 | 2 | 2 | 66.76 | 6 | 1 | 14 | 0 |
TCMC1238 | C10H18O | Geraniol | 154.14 | 2.3397 | 2.45 | 2.524 | 1 | 1 | 20.23 | 8 | 0 | 11 | 0 |
TCMC1264 | C5H10N2O3 | Glutamine | 146.07 | -1.4816 | 1.46 | -2.943 | 5 | 4 | 107.4 | 7 | 0 | 10 | 0 |
TCMC1271 | C2H5NO2 | Glycine | 75.03 | -1.1915 | 1.35 | -3.35 | 3 | 2 | 63.32 | 3 | 0 | 5 | 0 |
TCMC1331 | C6H9N3O2 | Histidine | 155.07 | -1.3116 | 1.57 | -3.134 | 5 | 3 | 92 | 5 | 1 | 11 | 0 |
TCMC1388 | C11H10O4 | Isoeugenitol | 206.06 | -0.3427 | 2.23 | 0.529 | 1 | 2 | 66.76 | 4 | 2 | 15 | 0 |
TCMC1405 | C3H8O | Isopropyl Alcohol | 60.06 | -0.4081 | 1.68 | 0.384 | 1 | 1 | 20.23 | 3 | 0 | 4 | 0 |
TCMC1429 | C15H10O6 | Kaempferol | 286.05 | -2.3409 | 2.45 | 1.915 | 2 | 4 | 107.22 | 5 | 3 | 21 | 0 |
TCMC1459 | C3H7NO2 | L-Alanine | 89.05 | -1.0955 | 1.46 | -2.824 | 3 | 2 | 63.32 | 4 | 0 | 6 | 0 |
TCMC1480 | C5H9NO4 | L-Glutamate | 147.05 | -1.6398 | 1.46 | -3.349 | 5 | 3 | 100.62 | 7 | 0 | 10 | 0 |
TCMC1512 | C9H11NO2 | L-Phenylalanine | 165.08 | -1.0844 | 2.12 | 0.441 | 3 | 2 | 63.32 | 5 | 1 | 12 | 0 |
TCMC1513 | C5H9NO2 | L-Proline | 115.06 | -1.3817 | 1.68 | -0.185 | 3 | 2 | 49.33 | 2 | 1 | 8 | 0 |
TCMC1554 | C4H9NO2S | Methyl (2R)-2-Amino-3-Sulfanylpropanoate | 135.04 | -0.3732 | 1.46 | -0.088 | 3 | 1 | 91.12 | 6 | 0 | 8 | 0 |
TCMC1659 | C20H19NO5 | 353.13 | -0.4401 | 3 | 1.86 | 2 | 0 | 57.23 | 1 | 5 | 26 | 0 | |
TCMC1737 | C10H18O | Nerol | 154.14 | 2.3397 | 2.45 | 2.524 | 1 | 1 | 20.23 | 8 | 0 | 11 | 0 |
TCMC1839 | C7H6O3 | Paraben | 138.03 | -0.7001 | 1.9 | 1.07 | 2 | 2 | 57.53 | 3 | 1 | 10 | 0 |
TCMC1854 | C5H10O | Pentanal | 86.07 | -0.6823 | 1.9 | 1.725 | 1 | 0 | 17.07 | 4 | 0 | 6 | 0 |
TCMC1956 | C7H6O4 | Protocatechuic Acid | 154.03 | -1.1604 | 1.79 | 0.536 | 2 | 3 | 77.76 | 4 | 1 | 11 | 0 |
TCMC1973 | C8H9NO3 | Pyridoxal | 167.06 | -0.6619 | 1.9 | -0.006 | 3 | 2 | 70.42 | 5 | 1 | 12 | 0 |
TCMC1974 | C8H10NO6P | Pyridoxal Phosphate | 247.02 | -0.5977 | 1.46 | -1.235 | 6 | 3 | 126.76 | 8 | 1 | 16 | 0 |
TCMC1975 | C8H12N2O2 | Pyridoxamine | 168.09 | -1.2078 | 1.9 | -0.744 | 3 | 3 | 79.37 | 6 | 1 | 12 | 0 |
TCMC1976 | C8H11NO3 | Pyridoxine | 169.07 | -0.9182 | 1.9 | -0.677 | 3 | 3 | 73.58 | 6 | 1 | 12 | 0 |
TCMC1982 | C15H10O7 | Quercetin | 302.04 | -2.8012 | 2.34 | 1.381 | 2 | 5 | 127.45 | 6 | 3 | 22 | 0 |
TCMC2059 | C5H11NO2Se | Selenomethionine | 197 | -1.3209 | 1.57 | -2.108 | 3 | 2 | 63.32 | 7 | 0 | 9 | 0 |
TCMC2062 | C3H7NO3 | Serine | 105.04 | -1.5955 | 1.35 | -3.956 | 4 | 3 | 83.55 | 5 | 0 | 7 | 0 |
TCMC2084 | C11H12O5 | Sinapinate | 224.07 | -0.4426 | 2.12 | 0.787 | 2 | 2 | 75.99 | 8 | 1 | 16 | 0 |
TCMC2144 | C8H20N.ClH | Tetraethylammonium Chloride | 130.16 | -0.0331 | 2.23 | 1.564 | 0 | 0 | 0 | 8 | 0 | 9 | 0 |
TCMC2197 | C11H12N2O2 | Tryptophan | 204.09 | -1.5048 | 2.23 | -0.96 | 4 | 3 | 79.11 | 5 | 2 | 15 | 0 |
TCMC2200 | C9H11NO3 | Tyrosine | 181.07 | -1.5447 | 2.01 | -1.577 | 3 | 3 | 83.55 | 6 | 1 | 13 | 0 |
TCMC2222 | C8H8O4 | Vanillic Acid | 168.04 | -0.7519 | 1.9 | 0.626 | 2 | 2 | 66.76 | 5 | 1 | 12 | 0 |
TCMC2371 | C5H2Br2O2 | 4-Bromo-5-(Bromomethylene)Furan-2(5H)-One | 251.84 | 1.1222 | 1.57 | 2.312 | 2 | 0 | 26.3 | 2 | 1 | 9 | 0 |
TCMC2408 | C5H11NO2 | Valine | 117.08 | -0.5739 | 1.68 | -2.169 | 3 | 2 | 63.32 | 6 | 0 | 8 | 0 |
TCMC2526 | C3H7NO2 | Alanine | 89.05 | -1.0955 | 1.46 | -2.824 | 3 | 2 | 63.32 | 4 | 0 | 6 | 0 |
TCMC2583 | C6H14S4 | Dipropyltetrasulfide | 214 | 1.9122 | 1.68 | 3.508 | 0 | 0 | 101.2 | 9 | 0 | 10 | 0 |
TCMC2594 | C6H13NO2 | Leucine | 131.09 | -0.3183 | 1.79 | -1.389 | 3 | 2 | 63.32 | 7 | 0 | 9 | 0 |
TCMC2857 | C2H6S | Dimethyl Sulfide | 62.01902119 | 0.7952 | 1.57 | 1.311 | 0 | 0 | 25.3 | 0 | 0 | 3 | 0 |
TCMC2858 | O2S | Sulfur Dioxide | 63.96190024 | -0.0466 | 1.13 | -0.543 | 2 | 0 | 34.14 | 0 | 0 | 3 | 0 |
TCMC3052 | C4H6S | Divinyl Sulfide | 86.01902119 | 0.9636 | 1.79 | 2.027 | 0 | 0 | 25.3 | 2 | 0 | 5 | 0 |
TCMC3055 | C6H14S2 | Dipropyl Disulfide | 150.0536924 | 0.731 | 1.9 | 2.998 | 0 | 0 | 50.6 | 5 | 0 | 8 | 0 |
TCMC3111 | C6H12S2 | Allyl Propyl Disulfide | 148.0380424 | 1.6752 | 1.9 | 2.632 | 0 | 0 | 50.6 | 5 | 0 | 8 | 0 |
TCMC3112 | C4H10S2 | Methyl Propyl Disulfide | 122.0223923 | 1.0584 | 1.68 | 2.282 | 0 | 0 | 50.6 | 3 | 0 | 6 | 0 |
TCMC3130 | C2H6S3 | Dimethyl Trisulfide | 125.9631632 | 1.9764 | 1.35 | 1.821 | 0 | 0 | 75.9 | 2 | 0 | 5 | 0 |
TCMC3139 | C10H13N5O4 | Adenosine | 267.0967539 | -2.2791 | 1.57 | -1.809 | 9 | 4 | 139.54 | 2 | 3 | 19 | 0 |
TCMC3199 | C4H8S3 | Allyl Methyl Trisulfide | 151.9788133 | 2.5932 | 1.57 | 2.171 | 0 | 0 | 75.9 | 4 | 0 | 7 | 0 |
TCMC3201 | C4H8S2 | Methyl Allyl Disulfide | 120.0067423 | 2.0026 | 1.68 | 1.916 | 0 | 0 | 50.6 | 3 | 0 | 6 | 0 |
TCMC3212 | C4H8S | Methyl Allyl Sulfide | 88.03467126 | 1.412 | 1.79 | 1.661 | 0 | 0 | 25.3 | 2 | 0 | 5 | 0 |
TCMC3265 | C6H10S4 | Diallyl Tetrasulfide | 209.9665343 | 3.8006 | 1.68 | 2.776 | 0 | 0 | 101.2 | 7 | 0 | 10 | 0 |
TCMC3273 | C6H12S | 2-Ethyltetrahydrothiophene | 116.0659714 | -0.5382 | 2.01 | 2.403 | 0 | 0 | 25.3 | 0 | 1 | 7 | 0 |
TCMC3294 | C12H18O4 | Allixin | 226.1205091 | -1.6178 | 2.34 | 3.463 | 4 | 1 | 46.53 | 5 | 1 | 16 | 0 |
TCMC3509 | C3H6O | 2-Hydroxy-Propylene | 58.04186481 | 0.5839 | 1.68 | 0.739 | 1 | 1 | 20.23 | 0 | 0 | 4 | 0 |
TCMC3956 | C6H10O7 | D-Galacturonan,D-Galacturonic Acid | 193.0348276 | -3.089 | 1.35 | -2.45 | 7 | 4 | 130.28 | 1 | 1 | 13 | 0 |
TCMC4007 | C6H12S2 | Propylallyldisulfide | 148.0380424 | 0.8119 | 1.9 | 2.597 | 0 | 0 | 50.6 | 1 | 1 | 8 | 0 |
TCMC4012 | C4H8S4 | Allyl Methyl Tetrasulfide | 183.9508843 | 3.1838 | 1.46 | 2.426 | 0 | 0 | 101.2 | 5 | 0 | 8 | 0 |
TCMC4013 | C6H12S3 | Allylpropyltrisulfide | 180.0101134 | 2.2658 | 1.79 | 2.887 | 0 | 0 | 75.9 | 6 | 0 | 9 | 0 |
TCMC4015 | C4H8S5 | Allyl Methyl Pentasulfide | 215.9229553 | 3.7744 | 1.35 | 2.681 | 0 | 0 | 126.5 | 6 | 0 | 9 | 0 |
TCMC4024 | C12H18O4 | Allixin | 226.1205091 | 2.4754 | 2.34 | 3.214 | 4 | 0 | 52.6 | 4 | 0 | 16 | 0 |
TCMC4033 | C8H14S | Methylallylsulfide | 142.0816214 | 2.9216 | 2.23 | 1.713 | 0 | 0 | 25.3 | 4 | 0 | 9 | 0 |
TCMC4210 | C15H22N4O2S2 | Allithiamine | 354.1184179 | -0.2134 | 2.23 | 0.661 | 6 | 2 | 142.94 | 10 | 1 | 23 | 0 |
TCMC4433 | C5H6S3 | 4-Vinyl-1,2,3-Trithia-4-Cyclohexene | 161.9631632 | 2.5119 | 1.68 | 1.829 | 0 | 0 | 75.9 | 1 | 1 | 8 | 0 |
TCMC4530 | C3H4S2 | Dithiocyclopentene | 103.9754421 | 0.6125 | 1.57 | 1.8 | 0 | 0 | 50.6 | 0 | 1 | 5 | 0 |
TCMC4575 | C6H8OS2 | 3-Allyldisulfanyl-Propenal | 160.0016569 | 1.548 | 1.79 | 1.727 | 1 | 0 | 67.67 | 5 | 0 | 9 | 0 |
TCMC4749 | C4H6S2 | 3-Methyl-1,2-Dithia-3-Cyclopentene | 117.9910922 | 1.6533 | 1.68 | 1.285 | 0 | 0 | 50.6 | 0 | 1 | 6 | 0 |
TCMC4750 | C4H6S2 | 4-Methyl-1,2-Dithio-3-Cyclopentene | 117.9910922 | 1.586 | 1.68 | 1.285 | 0 | 0 | 50.6 | 0 | 1 | 6 | 0 |
TCMC4767 | C4H10S3 | Methyl Propyl Trisulfide | 153.9944633 | 1.649 | 1.57 | 2.537 | 0 | 0 | 75.9 | 4 | 0 | 7 | 0 |
TCMC4898 | C9H14O2S3 | E-1,7,11-Triene-4,5,9-Trithiadodeca-9,9-Dioxide | 250.0155927 | 2.1526 | 1.9 | 2.224 | 2 | 0 | 93.12 | 8 | 0 | 14 | 0 |
TCMC5031 | C4H8S2 | Propenylmethylthiosulfinate | 120.0067423 | 1.6698 | 1.68 | 2.237 | 0 | 0 | 50.6 | 2 | 0 | 6 | 0 |
TCMC5220 | C2H6OS2 | Dimethylthiosulfinate | 109.9860068 | 0.274 | 1.35 | -0.463 | 1 | 0 | 61.58 | 1 | 0 | 5 | 0 |
TCMC6005 | C51H84O24 | Isoerubioside B | 1080.535254 | -7.4131 | 4.43 | -0.716 | 24 | 14 | 375.52 | 12 | 10 | 75 | 3 |
TCMC6180 | C6H10O2S2 | (Z,Z)-2,3-Dimethyl-1,4-Butanedithial-S,S'-Dioxide | 178.0122216 | 0.2048 | 1.68 | 1.214 | 2 | 0 | 34.14 | 3 | 0 | 10 | 0 |
TCMC6789 | C6H10OS2 | Allicin | 162.0173069 | 1.5076 | 1.79 | 0.237 | 1 | 0 | 61.58 | 5 | 0 | 9 | 0 |
TCMC6940 | C9H14OS3 | Ajoene | 234.0206781 | 2.0566 | 2.01 | 1.416 | 1 | 0 | 86.88 | 8 | 0 | 13 | 0 |