Description of the Component
Component ID |
TCMH797 |
Latin Name |
Sargassum |
English Name |
seaweed |
Chinese Pinyin Name |
Hai Zao |
中文名 |
海藻 |
TCM Properties |
Cold,Salty |
TCM Meridians |
Stomach,Kidney |
Therapeutic Class English |
For desolving phlegm, stopping cougth, and soothing breathing |
Therapeutic Class Chinese |
化痰止咳平喘 |
Functions |
soften indurated mass, eliminate phlegm and dissipate modulation, and induce diuresis |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
|
Barcode Source |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF2414 | Decoction of Sargassum for Gortier | 海藻玉壶汤 |
| TCMF2434 | Added Flavor DFZ Heat Clearing Decoction | 加味地肤子汤 |
| TCMF2452 | Breast Scleroma Desolving Decoction | 乳块消汤 |
| TCMF2519 | Liver Soothing and Stagnation Desolving Recipe | 疏肝散结方 |
| TCMF3287 | Gong Yan Kang Granules | 宫炎康颗粒 |
| TCMF330 | Nei Xiao Luo Li Tablet | 内消瘰疬片 |
| TCMF383 | Xin Tong Oral Liquid | 心通口服液 |
| TCMF4319 | He Luo Shu Gan Capsules | 和络舒肝胶囊 |
| TCMF4327 | He Luo Shu Gan Tablets | 和络舒肝片 |
| TCMF4664 | Ji Sheng Ju He Pills | 济生橘核丸 |
Showing 1 to 10 of 46 entries
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 |
| 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 |
Showing 1 to 10 of 110 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| 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 |
| TCMT1109 | Reverse transcriptase |
| TCMT1121 | Sialidase |
| TCMT1136 | Neuraminidase |
| TCMT1208 | Escherichia coli K12 |
| TCMT1212 | Verticillium dahliae |
Showing 1 to 10 of 24 entries
Ingredient Structrues
Ingredient ID: TCMC817
Formula: C16H22O4
Ingredient ID: TCMC817
| Common Name | Bis(2-Methylpropyl) Benzene-1,2-Dicarboxylate |
| IUPAC Name | bis(2-methylpropyl) benzene-1,2-dicarboxylate |
| Canonical SMILES | CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C |
| Standard InCHI | InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3 |
| Standard InCHIKey | MGWAVDBGNNKXQV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1370662]; PubChem [6782]; |
| Reference of Component-Ingredient Pair | 29061543 |
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 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
Showing 1 to 10 of 57 entries
Ingredient ID: TCMC7355
Formula: C8H16O7S
Ingredient ID: TCMC7355
| Common Name | Fucoidan |
| IUPAC Name | [(2S,3S,4S,5S,6R)-4-hydroxy-5-methoxy-2,6-dimethyloxan-3-yl] hydrogen sulfate |
| Canonical SMILES | CO[C@@H]1[C@@H](C)O[C@H]([C@H]([C@H]1O)OS(=O)(=O)[O-])C |
| Standard InCHI | InChI=1S/C8H16O7S/c1-4-7(13-3)6(9)8(5(2)14-4)15-16(10,11)12/h4-9H,1-3H3,(H,10,11,12)/p-1/t4-,5+,6+,7-,8-/m1/s1 |
| Standard InCHIKey | WZPKXSSMRAQGAC-DWOUCZDBSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [129532628]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7272
Formula: C29H48O3
Ingredient ID: TCMC7272
| Common Name | 29-Hydroperoxy-Stigmasta-5,24(28)-Dien-3Β-Ol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R)-7-hydroperoxy-5-propan-2-ylhept-5-en-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 | OOC/C=C(/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/C29H48O3/c1-19(2)21(14-17-32-31)7-6-20(3)25-10-11-26-24-9-8-22-18-23(30)12-15-28(22,4)27(24)13-16-29(25,26)5/h8,14,19-20,23-27,30-31H,6-7,9-13,15-18H2,1-5H3/b21-14+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | QQFQTVKOYPPUOZ-NTAPGQBDSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [102094446]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6357
Formula: C29H48O3
Ingredient ID: TCMC6357
| Common Name | 24-Hydroperoxy-24-Vinyl-Cholesterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-hydroperoxy-5-propan-2-ylhept-6-en-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 | OOC(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)C=C |
| Standard InCHI | InChI=1S/C29H48O3/c1-7-29(32-31,19(2)3)17-12-20(4)24-10-11-25-23-9-8-21-18-22(30)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,19-20,22-26,30-31H,1,9-18H2,2-6H3/t20-,22+,23+,24-,25+,26+,27+,28-,29?/m1/s1 |
| Standard InCHIKey | WLNWTSOEOWZEGI-SVSQYMGHSA-N |
| External Identifiers | ChEMBL [CHEMBL252561]; PubChem [20847459]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5716
Formula: C20H36O2
Ingredient ID: TCMC5716
| Common Name | EicosadienoicAcid |
| IUPAC Name | (2E,4E)-icosa-2,4-dienoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCC/C=C/C=C/C(=O)[O-] |
| Standard InCHI | InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h16-19H,2-15H2,1H3,(H,21,22)/p-1/b17-16+,19-18+ |
| Standard InCHIKey | LNAVIIOBBICBIS-NBRVCOCJSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [11483665]; |
| Reference of Component-Ingredient Pair | 21688154 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5569
Formula: C27H44O2
Ingredient ID: TCMC5569
| Common Name | 24-Keto-Cholesterol |
| IUPAC Name | (6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-one |
| Canonical SMILES | O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCC(=O)C(C)C)C)C)C1)C |
| Standard InCHI | InChI=1S/C27H44O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-24,28H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1 |
| Standard InCHIKey | PGLNLCWHYQYRGQ-ZHHJOTBYSA-N |
| External Identifiers | ChEMBL [CHEMBL275911]; PubChem [11036808]; |
| Reference of Component-Ingredient Pair | 12067165 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC449
Formula: C7H5NOS
Ingredient ID: TCMC449
| Common Name | 3H-1,3-Benzothiazol-2-One |
| IUPAC Name | 3H-1,3-benzothiazol-2-one |
| Canonical SMILES | Oc1nc2c(s1)cccc2 |
| Standard InCHI | InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) |
| Standard InCHIKey | YEDUAINPPJYDJZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL276936]; PubChem [13625]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4400
Formula: C20H38O2
Ingredient ID: TCMC4400
| Common Name | Eicosenoic?Acid |
| IUPAC Name | (E)-icos-11-enoic acid |
| Canonical SMILES | CCCCCCCC/C=C/CCCCCCCCCC(=O)[O-] |
| Standard InCHI | InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/p-1/b10-9+ |
| Standard InCHIKey | BITHHVVYSMSWAG-MDZDMXLPSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [5282769]; |
| Reference of Component-Ingredient Pair | 27601047 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4323
Formula: C29H48O
Ingredient ID: TCMC4323
| Common Name | Fucosterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | C/C=C(/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/C29H48O/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/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | OSELKOCHBMDKEJ-JUGJNGJRSA-N |
| External Identifiers | ChEMBL [CHEMBL519971]; PubChem [5281328]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3806
Formula: C18H32O16
Ingredient ID: TCMC3806
| Common Name | Laminarin |
| IUPAC Name | (3R,4S,5R,6R)-4-[(3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol |
| Canonical SMILES | OC[C@H]1OC(O[C@@H]2[C@@H](O)C(O)O[C@@H]([C@H]2O)CO)[C@@H]([C@H]([C@@H]1O)OC1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O |
| Standard InCHI | InChI=1S/C18H32O16/c19-1-4-7(22)10(25)11(26)17(31-4)34-15-9(24)6(3-21)32-18(13(15)28)33-14-8(23)5(2-20)30-16(29)12(14)27/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16?,17?,18?/m1/s1 |
| Standard InCHIKey | DBTMGCOVALSLOR-VPNXCSTESA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [439306]; |
| Reference of Component-Ingredient Pair | 19683058 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3208
Formula: C15H26O
Ingredient ID: TCMC3208
| Common Name | Cedrol,Eudesmol,Α-Cedrol |
| IUPAC Name | (1S,2R,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol |
| Canonical SMILES | C[C@@H]1CC[C@@H]2[C@@]31CC[C@@]([C@H](C3)C2(C)C)(C)O |
| Standard InCHI | InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1 |
| Standard InCHIKey | SVURIXNDRWRAFU-OGMFBOKVSA-N |
| External Identifiers | ChEMBL [CHEMBL1974890]; PubChem [65575]; |
| Reference of Component-Ingredient Pair | 22818358 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH121 | Biota orientalis | Bai Zi Ren | 柏子仁 |
| TCMH144 | Herba artemisiae anomalae | Bei Liu Ji Nu | 北刘寄奴 |
| TCMH1533 | Saussurea lappa | Mu Xiang | 木香 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH33 | Illicium verum | Ba Jiao Hui Xiang | 八角茴香 |
| TCMH797 | Sargassum | Hai Zao | 海藻 |
| TCMH877 | Radix ginseng rubra | Hong Shen | 红参 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC3088
Formula: C15H30O2
Ingredient ID: TCMC3088
| Common Name | Pentadecanoic Acid |
| IUPAC Name | pentadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCC(=O)[O-] |
| Standard InCHI | InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)/p-1 |
| Standard InCHIKey | WQEPLUUGTLDZJY-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [CHEMBL460025]; PubChem [13849]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1397 | Aristolochia debilis | Ma Dou Ling | 马兜铃 |
| TCMH2295 | fructus foeniculi | Xiao Hui Xiang | 小茴香 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
| TCMH699 | Eriocaulon buergerianum | Gu Jing Cao | 谷精草 |
| TCMH797 | Sargassum | Hai Zao | 海藻 |
| TCMH877 | Radix ginseng rubra | Hong Shen | 红参 |
| TCMH925 | Exocarpium citri grandis | Hua Ju Hong | 化橘红 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC3006
Formula: C17H34O2
Ingredient ID: TCMC3006
| Common Name | Daturic Acid,Heptadecanoic Acid,Margaric Acid |
| IUPAC Name | heptadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCC(=O)[O-] |
| Standard InCHI | InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)/p-1 |
| Standard InCHIKey | KEMQGTRYUADPNZ-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [CHEMBL1172910]; PubChem [10465]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH2241 | Panax quinquefolium | Xi Yang Shen | 西洋参 |
| TCMH2725 | Fructus perillae | Zi Su Zi | 紫苏子 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
| TCMH797 | Sargassum | Hai Zao | 海藻 |
| TCMH877 | Radix ginseng rubra | Hong Shen | 红参 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2165
Formula: C10H14N2O5
Ingredient ID: TCMC2165
| Common Name | Thymidine |
| IUPAC Name | 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione |
| Canonical SMILES | OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(nc1=O)O |
| Standard InCHI | InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 |
| Standard InCHIKey | IQFYYKKMVGJFEH-XLPZGREQSA-N |
| External Identifiers | ChEMBL [CHEMBL52609]; PubChem [5789]; |
| Reference of Component-Ingredient Pair | 22882409 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1626 | Fritillaria ussuriensis | Ping Bei Mu | 平贝母 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1894 | Pinellia ternata | Sheng Ban Xia | 生半夏 |
Showing 1 to 10 of 21 entries
Ingredient ID: TCMC1982
Formula: C15H10O7
Ingredient ID: TCMC1982
| Common Name | Quercetin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H |
| Standard InCHIKey | REFJWTPEDVJJIY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL50]; PubChem [5280343]; |
| Reference of Component-Ingredient Pair | 26766292 |
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 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
| TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
Showing 1 to 10 of 278 entries
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: TCMC1766
Formula: C16H13N
Ingredient ID: TCMC1766
| Common Name | N-Phenylnaphthalen-2-Amine |
| IUPAC Name | N-phenylnaphthalen-2-amine |
| Canonical SMILES | c1ccc(cc1)Nc1ccc2c(c1)cccc2 |
| Standard InCHI | InChI=1S/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17H |
| Standard InCHIKey | KEQFTVQCIQJIQW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1543632]; PubChem [8679]; |
| Reference of Component-Ingredient Pair | 15938142 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1535
Formula: C6H14O6
Ingredient ID: TCMC1535
| Common Name | Mannitol |
| IUPAC Name | (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol |
| Canonical SMILES | OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
| Standard InCHI | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 |
| Standard InCHIKey | FBPFZTCFMRRESA-KVTDHHQDSA-N |
| External Identifiers | ChEMBL [CHEMBL689]; PubChem [6251]; |
| Reference of Component-Ingredient Pair | 29968805 |
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 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1226 | Laminaria japonica | Kun Bu | 昆布 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
Showing 1 to 10 of 63 entries
Ingredient ID: TCMC1031
Formula: C16H22O4
Ingredient ID: TCMC1031
| Common Name | Dibutyl Phthalate |
| IUPAC Name | dibutyl benzene-1,2-dicarboxylate |
| Canonical SMILES | CCCCOC(=O)c1ccccc1C(=O)OCCCC |
| Standard InCHI | InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3 |
| Standard InCHIKey | DOIRQSBPFJWKBE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL272485]; PubChem [3026]; |
| Reference of Component-Ingredient Pair | 29385629 |
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 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
Showing 1 to 10 of 57 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1031 | C16H22O4 | Dibutyl Phthalate | 278.15 | -1.2084 | 2.78 | 5.034 | 4 | 0 | 52.6 | 12 | 1 | 20 | 1 |
| TCMC1535 | C6H14O6 | Mannitol | 182.08 | -2.9402 | 1.46 | -3.896 | 6 | 6 | 121.38 | 11 | 0 | 12 | 1 |
| TCMC1766 | C16H13N | N-Phenylnaphthalen-2-Amine | 219.1 | -0.4204 | 3.11 | 6.786 | 1 | 1 | 12.03 | 2 | 3 | 17 | 1 |
| TCMC1839 | C7H6O3 | Paraben | 138.03 | -0.7001 | 1.9 | 1.07 | 2 | 2 | 57.53 | 3 | 1 | 10 | 0 |
| TCMC1982 | C15H10O7 | Quercetin | 302.04 | -2.8012 | 2.34 | 1.381 | 2 | 5 | 127.45 | 6 | 3 | 22 | 0 |
| TCMC2165 | C10H14N2O5 | Thymidine | 242.09 | -1.7707 | 1.79 | -1 | 7 | 3 | 102.59 | 6 | 2 | 17 | 0 |
| TCMC3006 | C17H34O2 | Daturic Acid,Heptadecanoic Acid,Margaric Acid | 269.2480553 | -4.8635 | 3.11 | 7.658 | 2 | 0 | 40.13 | 15 | 0 | 19 | 2 |
| TCMC3088 | C15H30O2 | Pentadecanoic Acid | 241.2167552 | -4.2875 | 2.89 | 6.52 | 2 | 0 | 40.13 | 13 | 0 | 17 | 2 |
| TCMC3208 | C15H26O | Cedrol,Eudesmol,Α-Cedrol | 222.1983655 | 1.3573 | 3 | 5.176 | 1 | 1 | 20.23 | 0 | 3 | 16 | 1 |
| TCMC3806 | C18H32O16 | Laminarin | 504.1690349 | -6.0072 | 1.68 | -5.629 | 16 | 11 | 268.68 | 7 | 3 | 34 | 2 |
Showing 1 to 10 of 19 entries
Download Data
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