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 |
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMFx2990 | Bai Hua She Ointment | ç™½èŠ±è›‡è† |
| TCMFx3311 | Dian Xian Powder | 癫痫散 |
| TCMFx3916 | Fu Ke Tong Jing Pills | 妇科通ç»ä¸¸ |
| TCMFx1415 | Fuke Tongjing Pills | 妇科通ç»ä¸¸ |
| TCMFx2568 | Fuke Tongjing Pills | 妇科通ç»ä¸¸ |
| TCMFx1567 | Minor White Powder of Three Drugs | 三物å°ç™½æ•£ |
| TCMFx1986 | Qiwei Ketengzi Pills | 七味榼藤å丸 |
| TCMFx5140 | She Xiang Hui Yang Ointment | éºé¦™å›žé˜³è† |
| TCMFx5592 | Sheng Hua Hong Hei Pills | å‡åŽçº¢é»‘丸 |
| TCMFx1550 | Three Drugs for Emergency Pills | 三物备急丸 |
| TCMF5332 | Wan Ling Jin Gu Ointment | 万çµç‹éª¨è† |
| TCMFx6045 | Xiao He Ointment | æ¶ˆæ ¸è† |
| TCMFx6821 | Zhan Jiang Chan Chu Ointment | 湛江蟾èœè† |
| TCMFx6250 | Zhen Jiang Gao Yao | 镇江è†è¯ |
| TCMFx6255 | Zhen Jiang Xiang Jiao Ointment | é•‡æ±Ÿæ©¡èƒ¶è† |
| TCMFx1780 | Zhenjiang Plaster | 镇江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 |
| 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 |
| 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 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
| 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,Î’-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 |