Description of the Component
Component ID |
TCMH1278 |
Latin Name |
Radix zanthoxyli |
English Name |
Shinyleaf pricklyash root |
Chinese Pinyin Name |
Liang Mian Zhen |
中文名 |
两面针 |
TCM Properties |
Mild,Pungent,Bitter |
TCM Meridians |
Stomach,Liver |
Therapeutic Class English |
For dispelling wind-dampness |
Therapeutic Class Chinese |
祛风湿 |
Functions |
promote the flow of qi, relieve pain, eliminate blood stasis, promote blood circulation and dispel wind |
Toxicity |
Toxic |
Geo-authentic habitats (道地产区) |
Guangxi Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
|
Barcode Source |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1038 | Die Da Zhen Tong Ointment | 跌打镇痛膏 |
| TCMF216 | San Jiu Wei Tai Capsule | 三九胃泰胶囊 |
| TCMF217 | San Jiu Wei Tai Granules | 三九胃泰颗粒 |
| TCMF3409 | Gu Ci Ping Tablets | 骨刺平片 |
| TCMF3434 | Die Da Zhen Tong Ointment | 跌打镇痛膏 |
| TCMF4414 | Ke Tong Ding | 克痛酊 |
| TCMF5011 | San Jiu Wei Tai Capsules | 三九胃泰胶囊 |
| TCMF5017 | San Jiu Wei Tai Granules | 三九胃泰颗粒 |
| TCMFx1021 | Xiao Zhong Zhi Tong Tincture | 消肿止痛酊 |
| TCMFx1286 | Fuyanjing Capsules | 妇炎净胶囊 |
Showing 1 to 10 of 57 entries
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT131 | ACHE | Acetylcholinesterase | Hydrolase | P22303 |
| 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 |
Showing 1 to 10 of 15 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1170 | Enterobacter cloacae |
| TCMT1218 | Staphylococcus aureus |
| TCMT1229 | Enterococcus faecalis |
| TCMT1232 | Pseudomonas aeruginosa |
| TCMT1246 | Escherichia coli |
| TCMT1454 | Bacillus subtilis |
Showing 1 to 6 of 6 entries
Ingredient Structrues
Ingredient ID: TCMC6635
Formula: C23H23NO5
Ingredient ID: TCMC6635
| Common Name | ethoxychelerythrine |
| IUPAC Name | (13S)-13-ethoxy-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine |
| Canonical SMILES | CCO[C@H]1c2c(ccc(c2OC)OC)c2c(N1C)c1cc3OCOc3cc1cc2 |
| Standard InCHI | InChI=1S/C23H23NO5/c1-5-27-23-20-14(8-9-17(25-3)22(20)26-4)15-7-6-13-10-18-19(29-12-28-18)11-16(13)21(15)24(23)2/h6-11,23H,5,12H2,1-4H3/t23-/m0/s1 |
| Standard InCHIKey | OXEZOWCIRUNPIN-QHCPKHFHSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [25768645]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5883
Formula: C29H50O
Ingredient ID: TCMC5883
| Common Name | sitosterol |
| IUPAC Name | (3R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23-,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | KZJWDPNRJALLNS-ZFVHJZABSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12303645]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5872
Formula: C10H16O2
Ingredient ID: TCMC5872
| Common Name | Diosphenol |
| IUPAC Name | (6S)-2-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one |
| Canonical SMILES | CC([C@@H]1CCC(=C(C1=O)O)C)C |
| Standard InCHI | InChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6,8,11H,4-5H2,1-3H3/t8-/m0/s1 |
| Standard InCHIKey | QSIMLPCPCXVYDD-QMMMGPOBSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12095091]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4654
Formula: C20H16NO4
Ingredient ID: TCMC4654
| Common Name | Isofagaridine |
| IUPAC Name | 1-methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-2-ol |
| Canonical SMILES | COc1c(O)ccc2c1c[n+](C)c1c2ccc2c1cc1OCOc1c2 |
| Standard InCHI | InChI=1S/C20H15NO4/c1-21-9-15-12(5-6-16(22)20(15)23-2)13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)21/h3-9H,10H2,1-2H3/p+1 |
| Standard InCHIKey | TXASKRGBMHFMPT-UHFFFAOYSA-O |
| External Identifiers | ChEMBL [CHEMBL1187176]; PubChem [5318563]; |
| Reference of Component-Ingredient Pair | 11135299 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4258
Formula: C21H19NO6
Ingredient ID: TCMC4258
| Common Name | Arnottianamide |
| IUPAC Name | N-[6-(2-hydroxy-3,4-dimethoxyphenyl)benzo[f][1,3]benzodioxol-5-yl]-N-methylformamide |
| Canonical SMILES | O=CN(c1c(ccc2c1cc1OCOc1c2)c1ccc(c(c1O)OC)OC)C |
| Standard InCHI | InChI=1S/C21H19NO6/c1-22(10-23)19-13(14-6-7-16(25-2)21(26-3)20(14)24)5-4-12-8-17-18(9-15(12)19)28-11-27-17/h4-10,24H,11H2,1-3H3 |
| Standard InCHIKey | WWWKIQOQQGESSQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [3085181]; |
| Reference of Component-Ingredient Pair | 26427956 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4160
Formula: C20H24NO4
Ingredient ID: TCMC4160
| Common Name | magnoflorine |
| IUPAC Name | (6aR)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol |
| Canonical SMILES | COc1ccc2c(c1O)c1c(O)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3 |
| Standard InCHI | InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m1/s1 |
| Standard InCHIKey | YLRXAIKMLINXQY-CYBMUJFWSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [929259]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3952
Formula: C20H15NO4
Ingredient ID: TCMC3952
| Common Name | Norchelerythrine |
| IUPAC Name | 1,2-dimethoxy-[1,3]benzodioxolo[5,6-c]phenanthridine |
| Canonical SMILES | COc1c(OC)ccc2c1cnc1c2ccc2c1cc1OCOc1c2 |
| Standard InCHI | InChI=1S/C20H15NO4/c1-22-16-6-5-12-13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)21-9-15(12)20(16)23-2/h3-9H,10H2,1-2H3 |
| Standard InCHIKey | JGUNQXPMULKFNY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1182694]; PubChem [443719]; |
| Reference of Component-Ingredient Pair | 26124276 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3667
Formula: C20H16NO4
Ingredient ID: TCMC3667
| Common Name | isofagaridine |
| IUPAC Name | 2-methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol |
| Canonical SMILES | COc1ccc2c(c1O)c[n+](c1c2ccc2c1cc1c(c2)OCO1)C |
| Standard InCHI | InChI=1S/C20H15NO4/c1-21-9-15-12(5-6-16(23-2)20(15)22)13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)21/h3-9H,10H2,1-2H3/p+1 |
| Standard InCHIKey | RSCIYYHIBVZXDI-UHFFFAOYSA-O |
| External Identifiers | ChEMBL [CHEMBL305942]; PubChem [177893]; |
| Reference of Component-Ingredient Pair | 25349626 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3601
Formula: C16H21NO4
Ingredient ID: TCMC3601
| Common Name | 3-[(2R)-2,3-dihydroxy-3-methyl-butyl]-4-methoxy-1-methyl-carbostyril |
| IUPAC Name | 3-[(2R)-2,3-dihydroxy-3-methylbutyl]-4-methoxy-1-methylquinolin-2-one |
| Canonical SMILES | COc1c(C[C@H](C(O)(C)C)O)c(=O)n(c2c1cccc2)C |
| Standard InCHI | InChI=1S/C16H21NO4/c1-16(2,20)13(18)9-11-14(21-4)10-7-5-6-8-12(10)17(3)15(11)19/h5-8,13,18,20H,9H2,1-4H3/t13-/m1/s1 |
| Standard InCHIKey | NHNXJYYEQLVCAZ-CYBMUJFWSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [161570]; |
| Reference of Component-Ingredient Pair | 28740540 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3577
Formula: C16H20O6
Ingredient ID: TCMC3577
| Common Name | 6-[(2R)-2,3-dihydroxy-3-methyl-butyl]-5,7-dimethoxy-coumarin |
| IUPAC Name | 6-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one |
| Canonical SMILES | COc1cc2oc(=O)ccc2c(c1C[C@H](C(O)(C)C)O)OC |
| Standard InCHI | InChI=1S/C16H20O6/c1-16(2,19)13(17)7-10-11(20-3)8-12-9(15(10)21-4)5-6-14(18)22-12/h5-6,8,13,17,19H,7H2,1-4H3/t13-/m1/s1 |
| Standard InCHIKey | GLWPLQBQHWYKRK-CYBMUJFWSA-N |
| External Identifiers | ChEMBL [CHEMBL2236569]; PubChem [160485]; |
| Reference of Component-Ingredient Pair | 1783986 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3519
Formula: C12H12O5
Ingredient ID: TCMC3519
| Common Name | 5,6,7-Trimethoxycoumarin |
| IUPAC Name | 5,6,7-trimethoxychromen-2-one |
| Canonical SMILES | COc1cc2oc(=O)ccc2c(c1OC)OC |
| Standard InCHI | InChI=1S/C12H12O5/c1-14-9-6-8-7(4-5-10(13)17-8)11(15-2)12(9)16-3/h4-6H,1-3H3 |
| Standard InCHIKey | FOBNRKTURPWTQX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL607537]; PubChem [148724]; |
| Reference of Component-Ingredient Pair | 19716307 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3513
Formula: C21H17NO5
Ingredient ID: TCMC3513
| Common Name | Oxychelerythrine |
| IUPAC Name | 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-13-one |
| Canonical SMILES | COc1c(OC)ccc2c1c(=O)n(C)c1c2ccc2c1cc1OCOc1c2 |
| Standard InCHI | InChI=1S/C21H17NO5/c1-22-19-13(5-4-11-8-16-17(9-14(11)19)27-10-26-16)12-6-7-15(24-2)20(25-3)18(12)21(22)23/h4-9H,10H2,1-3H3 |
| Standard InCHIKey | IHTXRYTWDARUKX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [147279]; |
| Reference of Component-Ingredient Pair | 15931588 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3366
Formula: C21H19NO4
Ingredient ID: TCMC3366
| Common Name | Dihydronitidine |
| IUPAC Name | 2,3-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine |
| Canonical SMILES | COc1cc2c(cc1OC)CN(c1c2ccc2c1cc1c(c2)OCO1)C |
| Standard InCHI | InChI=1S/C21H19NO4/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22/h4-9H,10-11H2,1-3H3 |
| Standard InCHIKey | MTVOSXTZNVKGIF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL487807]; PubChem [99641]; |
| Reference of Component-Ingredient Pair | 24330395 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3359
Formula: C21H17NO5
Ingredient ID: TCMC3359
| Common Name | OXYNITIDINE |
| IUPAC Name | 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-13-one |
| Canonical SMILES | COc1cc2c(cc1OC)c1ccc3c(c1n(c2=O)C)cc1c(c3)OCO1 |
| Standard InCHI | InChI=1S/C21H17NO5/c1-22-20-12(5-4-11-6-18-19(7-13(11)20)27-10-26-18)14-8-16(24-2)17(25-3)9-15(14)21(22)23/h4-9H,10H2,1-3H3 |
| Standard InCHIKey | TVYBYUSEIMYSFA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL488611]; PubChem [97597]; |
| Reference of Component-Ingredient Pair | 18636339 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2877
Formula: C21H18NO4
Ingredient ID: TCMC2877
| Common Name | Nitidine |
| IUPAC Name | 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium |
| Canonical SMILES | COc1cc2c[n+](C)c3c(c2cc1OC)ccc1c3cc2OCOc2c1 |
| Standard InCHI | InChI=1S/C21H18NO4/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22/h4-10H,11H2,1-3H3/q+1 |
| Standard InCHIKey | KKMPSGJPCCJYRV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL176008]; PubChem [4501]; |
| Reference of Component-Ingredient Pair | 11135299 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1839
Formula: C7H6O3
Ingredient ID: TCMC1839
| Common Name | Paraben |
| IUPAC Name | 4-oxoniobenzoate |
| Canonical SMILES | Oc1ccc(cc1)C(=O)O |
| Standard InCHI | InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) |
| Standard InCHIKey | FJKROLUGYXJWQN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL441343]; PubChem [3702506]; |
| Reference of Component-Ingredient Pair | 8087979 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
Showing 1 to 10 of 162 entries
Ingredient ID: TCMC1582
Formula: C8H8O3
Ingredient ID: TCMC1582
| Common Name | Methylparaben |
| IUPAC Name | methyl 4-hydroxybenzoate |
| Canonical SMILES | COC(=O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3 |
| Standard InCHIKey | LXCFILQKKLGQFO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL325372]; PubChem [7456]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1122 | Psammosilene tunicoides | Jin Tie Suo | 金铁锁 |
| TCMH1278 | Radix zanthoxyli | Liang Mian Zhen | 两面针 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1305 | Laggera alata | Liu Ling Ju | 六棱菊 |
| TCMH1539 | Cucurbita moschata | Nan Gua | 南瓜 |
| TCMH1628 | Fructus psoraleae corylifoliae | Po Gu Zhi | 破故纸 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
Showing 1 to 10 of 22 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1582 | C8H8O3 | Methylparaben | 152.05 | -0.4491 | 2.01 | 1.391 | 2 | 1 | 46.53 | 4 | 1 | 11 | 0 |
| TCMC1839 | C7H6O3 | Paraben | 138.03 | -0.7001 | 1.9 | 1.07 | 2 | 2 | 57.53 | 3 | 1 | 10 | 0 |
| TCMC2877 | C21H18NO4 | Nitidine | 348.1235831 | -1.7479 | 3.22 | 3.37 | 0 | 0 | 40.8 | 2 | 5 | 26 | 0 |
| TCMC3359 | C21H17NO5 | OXYNITIDINE | 363.1106726 | -0.9388 | 3.11 | 2.859 | 2 | 0 | 57.23 | 2 | 5 | 27 | 0 |
| TCMC3366 | C21H19NO4 | Dihydronitidine | 349.1314081 | -0.2792 | 3.22 | 3.232 | 1 | 0 | 40.16 | 2 | 5 | 26 | 0 |
| TCMC3513 | C21H17NO5 | Oxychelerythrine | 363.1106726 | -0.9388 | 3.11 | 2.859 | 2 | 0 | 57.23 | 2 | 5 | 27 | 0 |
| TCMC3519 | C12H12O5 | 5,6,7-Trimethoxycoumarin | 236.0684735 | 0.1824 | 2.23 | 1.687 | 1 | 0 | 44.76 | 3 | 2 | 17 | 0 |
| TCMC3577 | C16H20O6 | 6-[(2R)-2,3-dihydroxy-3-methyl-butyl]-5,7-dimethoxy-coumarin | 308.1259884 | -0.0803 | 2.56 | 1.674 | 3 | 2 | 75.99 | 5 | 2 | 22 | 0 |
| TCMC3601 | C16H21NO4 | 3-[(2R)-2,3-dihydroxy-3-methyl-butyl]-4-methoxy-1-methyl-carbostyril | 291.1470582 | -1.3095 | 2.67 | 1.774 | 5 | 2 | 66.76 | 4 | 2 | 21 | 0 |
| TCMC3667 | C20H16NO4 | isofagaridine | 334.107933 | -2.1564 | 3.11 | 2.851 | 0 | 1 | 51.8 | 1 | 5 | 25 | 0 |
Showing 1 to 10 of 17 entries
Download Data
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