Component: Croton tiglium 巴豆


Description of the Component

Component ID
TCMH28
Latin Name
Croton tiglium
English Name
Pu rging croton
Chinese Pinyin Name
Ba Dou
中文名
巴豆
TCM Properties
Hot,Pungent
TCM Meridians
Large Intestine,Stomach
Therapeutic Class English
Purging
Therapeutic Class Chinese
泻下
Functions
drain accumulated cold downward, transform water and reduce edema, resolve phlegm and benefit throat
Toxicity
Extremely Toxic
Geo-authentic habitats (道地产区)
Sichuan Province,Chongqing
Reference
Chinese Pharmacopoeia (2015)
Barcode ID
ITSAJ4152-14
Barcode Source
BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID Prescription English Name Prescription Chinese Name
TCMFx2990 Bai Hua She Ointment 白花蛇膏
TCMFx3311 Dian Xian Powder 癫痫散
TCMFx3916 Fu Ke Tong Jing Pills 妇科通经丸
TCMFx1415 Fuke Tongjing Pills 妇科通经丸
TCMFx2568 Fuke Tongjing Pills 妇科通经丸
TCMFx1567 Minor White Powder of Three Drugs 三物小白散
TCMFx1986 Qiwei Ketengzi Pills 七味榼藤子丸
TCMFx5140 She Xiang Hui Yang Ointment 麝香回阳膏
TCMFx5592 Sheng Hua Hong Hei Pills 升华红黑丸
TCMFx1550 Three Drugs for Emergency Pills 三物备急丸
TCMF5332 Wan Ling Jin Gu Ointment 万灵筋骨膏
TCMFx6045 Xiao He Ointment 消核膏
TCMFx6821 Zhan Jiang Chan Chu Ointment 湛江蟾蜍膏
TCMFx6250 Zhen Jiang Gao Yao 镇江膏药
TCMFx6255 Zhen Jiang Xiang Jiao Ointment 镇江橡胶膏
TCMFx1780 Zhenjiang Plaster 镇江膏药

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
TCMT126 TERT Telomerase reverse transcriptase Transferase O14746
TCMT150 RORC Nuclear receptor ROR-gamma Nuclear receptor P51449
TCMT151 PRKCA Protein kinase C alpha Kinase P17252
TCMT152 PRKCB Protein kinase C beta Kinase P05771
TCMT153 PRKCG Protein kinase C gamma Kinase P05129
TCMT154 PRKCD Protein kinase C delta Kinase Q05655
TCMT155 PRKCE Protein kinase C epsilon Kinase Q02156
TCMT156 CYP19A1 Cytochrome P450 19A1 Oxidoreductase P11511
TCMT161 HCAR2 Hydroxycarboxylic acid receptor 2 GPCR Q8TDS4
TCMT162 UGT1A1 UDP-glucuronosyltransferase 1-1 Transferase P22309
TCMT164 PTGS1 Cyclooxygenase-1 Oxidoreductase P23219
TCMT176 SOAT1 Acyl coenzyme A:cholesterol acyltransferase 1 Transferase P35610
TCMT189 DUSP3 Dual specificity protein phosphatase 3 Hydrolase P51452
TCMT2 MAPT Microtubule-associated protein tau Unclassified P10636
TCMT223 AKR1B1 Aldose reductase Oxidoreductase P15121
TCMT248 CXCL8 Interleukin-8 Unclassified P10145
TCMT280 AKR1B10 Aldo-keto reductase family 1 member B10 Oxidoreductase O60218
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
TCMT307 KCNH2 HERG Ion channel Q12809
TCMT33 CYP3A4 Cytochrome P450 3A4 Oxidoreductase P08684
TCMT341 NR1I2 Pregnane X receptor Nuclear receptor O75469
TCMT42 KMT2A Histone-lysine N-methyltransferase MLL Transferase Q03164
TCMT45 APP Beta amyloid A4 protein Unclassified P05067
TCMT46 F3 Coagulation factor III Unclassified P13726
TCMT588 DAO D-amino-acid oxidase Oxidoreductase P14920
TCMT6 NFKB1 Nuclear factor NF-kappa-B p105 subunit Transcription factor P19838
TCMT63 PPARA Peroxisome proliferator-activated receptor alpha Nuclear receptor Q07869
TCMT64 PPARD Peroxisome proliferator-activated receptor delta Nuclear receptor Q03181
TCMT67 PPARG Peroxisome proliferator-activated receptor gamma Nuclear receptor P37231
TCMT8 KDM4E Lysine-specific demethylase 4D-like Oxidoreductase B2RXH2
TCMT808 FABP5 Fatty acid binding protein epidermal Unclassified Q01469
TCMT809 FABP2 Fatty acid binding protein intestinal Unclassified P12104
TCMT810 TLR2 Toll-like receptor 2 Unclassified O60603
TCMT82 ESR1 Estrogen receptor alpha Nuclear receptor P03372


Targeted Pathogenic Microbes by the Ingredient of Component

Target ID Target Name
TCMT1218 Staphylococcus aureus
TCMT1251 Candida albicans
TCMT1346 Helicobacter pylori
TCMT1361 Neisseria meningitidis
TCMT1382 Plasmodium falciparum (isolate K1 / Thailand)
TCMT1438 Plasmodium falciparum
TCMT1442 Leishmania donovani
TCMT1455 Mycobacterium tuberculosis H37Rv

Ingredient Structrues

Ingredient ID: TCMC955
Formula: C4H6O2

Ingredient ID: TCMC897
Formula: C16H18O9

Ingredient ID: TCMC7176
Formula: C21H30O6

Ingredient ID: TCMC7056
Formula: C27H36O8

Ingredient ID: TCMC7010
Formula: C30H42O8

Ingredient ID: TCMC6904
Formula: C36H56O8

Ingredient ID: TCMC6831
Formula: C20H28O5

Ingredient ID: TCMC6684
Formula: C34H52O8

Ingredient ID: TCMC6615
Formula: C37H56O8

Ingredient ID: TCMC6614
Formula: C29H40O8

Ingredient ID: TCMC6236
Formula: C20H28O5

Ingredient ID: TCMC6100
Formula: C20H30O4

Ingredient ID: TCMC5767
Formula: C16H16O3

Ingredient ID: TCMC5738
Formula: C18H20O5

Ingredient ID: TCMC5713
Formula: C20H20O5

Ingredient ID: TCMC5392
Formula: C19H22O4

Ingredient ID: TCMC5254
Formula: C32H48O8

Ingredient ID: TCMC5132
Formula: C40H60O8

Ingredient ID: TCMC4333
Formula: C35H52O8

Ingredient ID: TCMC4018
Formula: C6H10O2

Ingredient ID: TCMC3993
Formula: C34H52O8

Ingredient ID: TCMC3966
Formula: C29H50O

Ingredient ID: TCMC3871
Formula: C20H28O6

Ingredient ID: TCMC3758
Formula: C20H28O6

Ingredient ID: TCMC3458
Formula: C5H8O2

Ingredient ID: TCMC3447
Formula: C32H48O8

Ingredient ID: TCMC3438
Formula: C36H56O8

Ingredient ID: TCMC3418
Formula: C38H60O8

Ingredient ID: TCMC3236
Formula: C34H36O8

Ingredient ID: TCMC3206
Formula: C10H13N5O5

Ingredient ID: TCMC2491
Formula: C3H6O2

Ingredient ID: TCMC2294
Formula: C5H5N5O

Ingredient ID: TCMC2105
Formula: C18H36O2

Ingredient ID: TCMC1881
Formula: C36H56O8

Ingredient ID: TCMC1830
Formula: C16H32O2

Ingredient ID: TCMC1788
Formula: C18H34O2

Ingredient ID: TCMC1679
Formula: C27H36O9

Ingredient ID: TCMC1678
Formula: C25H36O6

Ingredient ID: TCMC1677
Formula: C30H40O9

Ingredient ID: TCMC1676
Formula: C32H40O8

Ingredient ID: TCMC1675
Formula: C26H36O8

Ingredient ID: TCMC1672
Formula: C30H42O8

Ingredient ID: TCMC1627
Formula: C28H40O8

Ingredient ID: TCMC1623
Formula: C29H40O8

Ingredient ID: TCMC1496
Formula: C18H30O2

Ingredient ID: TCMC1495
Formula: C18H32O2

Ingredient ID: TCMC1101
Formula: C11H12O3

Ingredient ID: TCMC1081
Formula: C12H24O2

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
TCMC897 C16H18O9 Chlorogenic Acid 354.1 -2.1962 2.23 -0.447 7 6 164.75 11 2 25 1
TCMC955 C4H6O2 Crotonic Acid 86.04 0.5608 1.68 0.736 2 1 37.3 3 0 6 0
TCMC1081 C12H24O2 Dodecanoate 200.18 -2.7457 2.56 5.294 2 1 37.3 12 0 14 1
TCMC1101 C11H12O3 Elemicin 192.08 0.6742 2.34 2.486 0 0 27.69 4 2 14 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
TCMC1623 C29H40O8 516.27 1.7233 3.77 1.542 8 3 130.36 18 4 37 0
TCMC1627 C28H40O8 504.27 -0.7685 3.66 1.643 8 3 130.36 18 4 36 0
TCMC1672 C30H42O8 530.29 1.0471 3.88 2.111 8 3 130.36 19 4 38 0
TCMC1675 C26H36O8 476.24 0.3795 3.44 0.545 8 3 130.36 16 4 34 0
TCMC1676 C32H40O8 552.27 0.9012 4.1 2.176 8 3 130.36 17 5 40 0
TCMC1677 C30H40O9 544.27 0.3517 3.77 2.199 9 3 147.43 19 4 39 0
TCMC1678 C25H36O6 432.25 -0.0753 3.55 0.892 6 3 104.06 14 4 31 0
TCMC1679 C27H36O9 504.24 -0.9921 3.44 1.202 9 3 147.43 17 4 36 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
TCMC1881 C36H56O8 Phorbol Myristate Acetate 616.4 -3.4367 4.54 6.511 8 3 130.36 26 4 44 2
TCMC2105 C18H36O2 Stearic Acid 284.27 -4.4737 3.22 8.708 2 1 37.3 18 0 20 2
TCMC2294 C5H5N5O Isoguanine 151.05 -1.6306 1.35 -1.132 5 3 100.71 2 2 11 0
TCMC2491 C3H6O2 Propionic Acid 74.04 -0.1537 1.57 0.173 2 1 37.3 3 0 5 0
TCMC3206 C10H13N5O5 Crotonoside 282.0838435 -3.1866 1.46 -2.227 10 4 155.55 2 3 20 0
TCMC3236 C34H36O8 Phorbol-12-Benzoate-13-Benzoate 572.2410181 -0.3647 4.32 5.491 8 3 130.36 7 6 42 1
TCMC3418 C38H60O8 Phorbol-12-Palmitate-13-Acetate 644.4288189 -4.0127 4.76 7.649 8 3 130.36 19 4 46 2
TCMC3438 C36H56O8 Phorbol-12-Myristate-13-Acetate 616.3975188 -3.4367 4.54 6.511 8 3 130.36 17 4 44 2
TCMC3447 C32H48O8 12-O-Acetylphorbol-13-Decanoate 560.3349185 -2.2847 4.1 4.235 8 3 130.36 13 4 40 1
TCMC3458 C5H8O2 Tiglic Acid 99.04460446 0.4361 1.79 0.436 2 0 40.13 1 0 7 0
TCMC3758 C20H28O6 Phorbol 364.1885886 -1.1031 3 -1.052 6 5 118.22 1 4 26 0
TCMC3871 C20H28O6 Phorbol 364.1885886 -1.1031 3 -1.052 6 5 118.22 1 4 26 0
TCMC3966 C29H50O Sitosterol,Β-Sitosterol 414.3861662 1.3 4.54 11.595 1 1 20.23 6 4 30 1
TCMC3993 C34H52O8 Phorbol-12-Acetate-13-Laurate 588.3662186 -2.8607 4.32 5.373 8 3 130.36 15 4 42 2
TCMC4018 C6H10O2 Tiglic Acid 113.0602545 1.085 1.9 0.498 2 0 40.13 1 0 8 0
TCMC4333 C35H52O8 Phorbol 12-Tiglate 13-Decanonate 600.3662186 -0.9409 4.43 5.232 8 3 130.36 14 4 43 2
TCMC5132 C40H60O8 13-O-Acetylphorbol-20-Linoleate 668.4288189 -1.0635 4.98 7.944 8 3 130.36 19 4 48 2
TCMC5254 C32H48O8 Phorbol-12-Caprate-13-Acetate 560.3349185 -2.2847 4.1 4.235 8 3 130.36 13 4 40 1
TCMC5392 C19H22O4 Trans-Dehydrocrotonin 314.1518092 0.5515 3.11 2.597 3 0 56.51 1 4 23 0
TCMC5713 C20H20O5 Crotin 340.1310737 -0.6397 3.11 3.167 1 3 86.99 4 3 25 0
TCMC5738 C18H20O5 3'-(4'-Hydroxy-3',5'-Dimethoxyphenyl)-Propyl Benzoate 316.1310737 -0.869 2.89 4.127 2 1 64.99 8 2 23 0
TCMC5767 C16H16O3 3'-(4'-Hydroxyphenyl)-Propyl Benzoate 256.1099444 -0.7654 2.89 5.226 2 1 46.53 6 2 19 1
TCMC6100 C20H30O4 3Α,4Β-Dihydroxy-15,16-Epoxy-12-Oxo-Cleroda-13(16),14-Dien 334.2144094 -0.367 3.22 3.849 3 2 70.67 3 3 24 0
TCMC6236 C20H28O5 3Α,4Β-Dihydroxy-15,16-Epoxy-12-Oxo-Cleroda-13(16),14-Dien-9-Oal 348.193674 -1.2014 3.11 2.402 4 2 87.74 4 3 25 0
TCMC6614 C29H40O8 Phorbol-12-Tiglate-13-Butyrate 516.2723182 0.7871 3.77 1.818 8 3 130.36 8 4 37 0
TCMC6615 C37H56O8 Phorbol-12-Tiglate-13-Laurate 628.3975188 -1.5169 4.65 6.37 8 3 130.36 16 4 45 2
TCMC6684 C34H52O8 Phorbol-12-Laurate-13-Acetate 588.3662186 -2.8607 4.32 5.373 8 3 130.36 15 4 42 2
TCMC6831 C20H28O5 4-Deoxy-4Α-Phorbol 348.193674 -0.5026 3.11 -0.534 5 4 97.99 1 4 25 0
TCMC6904 C36H56O8 Phorbol-12-Butyrate-13-Laurate 616.3975188 -3.0725 4.54 6.195 8 3 130.36 17 4 44 2
TCMC7010 C30H42O8 12-O-Tigloylphorbol-13-(2-Methylbutyrate) 530.2879686 1.0471 3.88 2.111 8 3 130.36 8 4 38 0
TCMC7056 C27H36O8 12-O-Acetylphorbol-13-Tigliate 488.2410181 0.9989 3.55 0.996 8 3 130.36 6 4 35 0
TCMC7176 C21H30O6 Chiromodine 378.2042387 -0.6339 3.11 2.292 5 2 96.97 5 3 27 0

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1. General Information of the Component  
2. TCM Prescriptions with the Component  
3. Putative Targets  
4. Activity & References for Filtering Putative Targets  
5. Ingredient Data & Chemical Structure Information (Properties, InChI, InChIkey, SMILES, etc.)