Description of the Component
Component ID |
TCMH243 |
Latin Name |
Pericarpium citri reticulatae |
English Name |
Dried tangerine peel |
Chinese Pinyin Name |
Chen Pi |
中文名 |
陈皮 |
TCM Properties |
Warm,Pungent,Bitter |
TCM Meridians |
Lung,Spleen |
Therapeutic Class English |
Regulation of qi |
Therapeutic Class Chinese |
理气 |
Functions |
regulate the flow of qi, invigorate the spleen function, eliminate damp, and resolve phlegm |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Guangdong Province,Hong Kong,Macao |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
|
Barcode Source |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1045 | Shu Er Jing Granules | 舒尔经颗粒 |
| TCMF1046 | Shu Gan Ping Wei Pills | 舒肝平胃丸 |
| TCMF1053 | Pi Wei Shu Pills | 脾胃舒丸 |
| TCMF106 | Tian Meng Oral Liquid | 甜梦口服液 |
| TCMF1062 | Tian Meng Capsule | 甜梦胶囊 |
| TCMF1098 | Yue Ju Er Chen Pills | 越鞠二陈丸 |
| TCMF1106 | Wen Wei Shu Capsule | 温胃舒胶囊 |
| TCMF1123 | Xin Xue Bao Capsule | 新血宝胶囊 |
| TCMF1198 | Juan Xiao Tablet | 蠲哮片 |
| TCMF1354 | Mu Xiang Qi Soothing Bolus | 木香顺气丸 |
Showing 1 to 10 of 871 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 |
| TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
| TCMT162 | UGT1A1 | UDP-glucuronosyltransferase 1-1 | Transferase | P22309 |
| TCMT265 | GSK3B | Glycogen synthase kinase-3 beta | Kinase | P49841 |
| 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 |
| TCMT3 | ALOX15 | Arachidonate 15-lipoxygenase | Oxidoreductase | P16050 |
| TCMT327 | TRPV1 | Vanilloid receptor | Ion channel | Q8NER1 |
| TCMT33 | CYP3A4 | Cytochrome P450 3A4 | Oxidoreductase | P08684 |
Showing 1 to 10 of 12 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1109 | Reverse transcriptase |
| TCMT1112 | Quinolone resistance protein norA |
| TCMT1178 | Actinomyces viscosus |
| TCMT1209 | Staphylococcus haemolyticus |
| TCMT1210 | Streptococcus sobrinus |
| TCMT1211 | Fusobacterium nucleatum |
| TCMT1218 | Staphylococcus aureus |
| TCMT1221 | Human herpesvirus 4 |
| TCMT1223 | Staphylococcus epidermidis |
| TCMT1226 | Klebsiella pneumoniae |
Showing 1 to 10 of 24 entries
Ingredient Structrues
Ingredient ID: TCMC922
Formula: C10H16O
Ingredient ID: TCMC922
| Common Name | Citral |
| IUPAC Name | (2E)-3,7-dimethylocta-2,6-dienal |
| Canonical SMILES | O=C/C=C(/CCC=C(C)C)C |
| Standard InCHI | InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+ |
| Standard InCHIKey | WTEVQBCEXWBHNA-JXMROGBWSA-N |
| External Identifiers | ChEMBL [CHEMBL1080997]; PubChem [638011]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1065 | Cortex zingiberis | Jiang Pi | 姜皮 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
Showing 1 to 10 of 65 entries
Ingredient ID: TCMC791
Formula: C40H56
Ingredient ID: TCMC791
| Common Name | Beta Carotene |
| IUPAC Name | 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene |
| Canonical SMILES | C/C(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C |
| Standard InCHI | InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ |
| Standard InCHIKey | OENHQHLEOONYIE-JLTXGRSLSA-N |
| External Identifiers | ChEMBL [CHEMBL1293]; PubChem [5280489]; |
| Reference of Component-Ingredient Pair | 21569430 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1228 | Capsicum frutescens | La Jiao | 辣椒 |
| TCMH1230 | Capsicum frutescens | La Jiao Jin Chu Ye | 辣椒浸出液 |
Showing 1 to 10 of 67 entries
Ingredient ID: TCMC6824
Formula: C12H10O5
Ingredient ID: TCMC6824
| Common Name | 5,5'-Oxydimethylene-Bis(2-Furaldehyde) |
| IUPAC Name | methyl 3-hydroxy-5-oxo-2-phenyl-2H-furan-4-carboxylate |
| Canonical SMILES | COC(=[C]1=C([O-])OC(C1=O)c1ccccc1)[O-] |
| Standard InCHI | InChI=1S/C12H11O5/c1-16-11(14)8-9(13)10(17-12(8)15)7-5-3-2-4-6-7/h2-6,10,14-15H,1H3/p-2 |
| Standard InCHIKey | ZTWNHTUZSILQGM-UHFFFAOYSA-L |
| External Identifiers | ChEMBL [N/A]; PubChem [54687314]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6814
Formula: C28H34O15
Ingredient ID: TCMC6814
| Common Name | Hesperetin-7-O-Rutinoside |
| IUPAC Name | (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
| Canonical SMILES | COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)OC1O[C@H](CO[C@H]2O[C@@H](C)[C@H]([C@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21+,22-,23+,24-,25+,26+,27-,28?/m0/s1 |
| Standard InCHIKey | QUQPHWDTPGMPEX-UNZJSITISA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [53477767]; |
| Reference of Component-Ingredient Pair | 20706908 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6582
Formula: C19H18O6
Ingredient ID: TCMC6582
| Common Name | 5,7,8,4'-Tetramethoxyflavone |
| IUPAC Name | methyl (Z)-4-(3,4-dihydroxyphenyl)-2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]but-2-enoate |
| Canonical SMILES | COC(=O)/C(=CCc1ccc(c(c1)O)O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C19H18O6/c1-25-19(24)14(6-2-12-4-8-15(20)17(22)10-12)7-3-13-5-9-16(21)18(23)11-13/h2,4-11,20-23H,3H2,1H3/b6-2+,14-7- |
| Standard InCHIKey | ATJCRATUAFXRMR-WARLJKBDSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [23271890]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6578
Formula: C21H22O8
Ingredient ID: TCMC6578
| Common Name | Citromitin |
| IUPAC Name | [(5S,6S,7R,8S)-8-acetyloxy-6,7-dihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-5-yl] acetate |
| Canonical SMILES | CC(=O)O[C@H]1[C@H](O)[C@H](O)[C@H](c2c1oc(CCc1ccccc1)cc2=O)OC(=O)C |
| Standard InCHI | InChI=1S/C21H22O8/c1-11(22)27-19-16-15(24)10-14(9-8-13-6-4-3-5-7-13)29-20(16)21(28-12(2)23)18(26)17(19)25/h3-7,10,17-19,21,25-26H,8-9H2,1-2H3/t17-,18+,19-,21-/m0/s1 |
| Standard InCHIKey | OZOLNPLWQBSPJK-JTJHWIPRSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [23258668]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6574
Formula: C17H14O6
Ingredient ID: TCMC6574
| Common Name | 5,4'-Dihydroxy-7,8-Dimethoxy Flavone |
| IUPAC Name | methyl 2-hydroxy-3-(5-hydroxy-3-oxobenzo[f]chromen-2-yl)propanoate |
| Canonical SMILES | COC(=O)C(Cc1cc2c(oc1=O)c(O)cc1c2cccc1)O |
| Standard InCHI | InChI=1S/C17H14O6/c1-22-17(21)14(19)8-10-6-12-11-5-3-2-4-9(11)7-13(18)15(12)23-16(10)20/h2-7,14,18-19H,8H2,1H3 |
| Standard InCHIKey | UFSUNYMDKLLHES-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [23243509]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6552
Formula: C15H22O
Ingredient ID: TCMC6552
| Common Name | 2,6,10-Trimethyl-2,6,9,11-Dodecatetraenal |
| IUPAC Name | (E)-3-[(4R,7R,7aS)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal |
| Canonical SMILES | O=C/C(=C/[C@H]1CC[C@H]([C@H]2C1=C(C)CC2)C)/C |
| Standard InCHI | InChI=1S/C15H22O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8-9,11,13-14H,4-7H2,1-3H3/b10-8+/t11-,13-,14+/m1/s1 |
| Standard InCHIKey | RJZWGDPBGWGJNU-VWWNOPSSSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21724425]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6518
Formula: C18H16O5
Ingredient ID: TCMC6518
| Common Name | 5,7,4'-Trimethoxyflavone |
| IUPAC Name | 3,7-dihydroxy-2-methoxy-3-(2-oxopropyl)phenanthren-4-one |
| Canonical SMILES | COC1=Cc2ccc3c(c2C(=O)C1(O)CC(=O)C)ccc(c3)O |
| Standard InCHI | InChI=1S/C18H16O5/c1-10(19)9-18(22)15(23-2)8-12-4-3-11-7-13(20)5-6-14(11)16(12)17(18)21/h3-8,20,22H,9H2,1-2H3 |
| Standard InCHIKey | MBBXCTRSJHKUMX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21668768]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5779
Formula: C25H28O8
Ingredient ID: TCMC5779
| Common Name | Limonin |
| IUPAC Name | [4-(1-acetyloxypropyl)-6-butanoyl-8,8-dimethyl-2-oxopyrano[2,3-h]chromen-5-yl] acetate |
| Canonical SMILES | CCCC(=O)c1c2OC(C)(C)C=Cc2c2c(c1OC(=O)C)c(cc(=O)o2)C(OC(=O)C)CC |
| Standard InCHI | InChI=1S/C25H28O8/c1-7-9-17(28)21-23-15(10-11-25(5,6)33-23)22-20(24(21)31-14(4)27)16(12-19(29)32-22)18(8-2)30-13(3)26/h10-12,18H,7-9H2,1-6H3 |
| Standard InCHIKey | SUSDLZPSRUSARC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11762232]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5428
Formula: C18H16O6
Ingredient ID: TCMC5428
| Common Name | 5-Hydroxy-7,8,4'-Trimethoxyflavanone |
| IUPAC Name | 8-hydroxy-5,7-dimethoxy-4-(4-methoxyphenyl)chromen-2-one |
| Canonical SMILES | COc1ccc(cc1)c1cc(=O)oc2c1c(OC)cc(c2O)OC |
| Standard InCHI | InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)12-8-15(19)24-18-16(12)13(22-2)9-14(23-3)17(18)20/h4-9,20H,1-3H3 |
| Standard InCHIKey | NBXASEHAOQMXCJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10471697]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5082
Formula: C10H14
Ingredient ID: TCMC5082
| Common Name | P-Cymol |
| IUPAC Name | 7-propan-2-ylcyclohepta-1,3,5-triene |
| Canonical SMILES | CC(C1C=CC=CC=C1)C |
| Standard InCHI | InChI=1S/C10H14/c1-9(2)10-7-5-3-4-6-8-10/h3-10H,1-2H3 |
| Standard InCHIKey | VUZPRMDAVNIKAV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [6432180]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4925
Formula: C20H20O8
Ingredient ID: TCMC4925
| Common Name | 5-Hydroxy-6,7,8,3',4'-Pentamethoxyflavone |
| IUPAC Name | methyl 4-[(1S)-4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3,5-dimethoxybenzoate |
| Canonical SMILES | COc1cc(OC)c2c(c1)[C@H](OC2=O)c1c(OC)cc(cc1OC)C(=O)OC |
| Standard InCHI | InChI=1S/C20H20O8/c1-23-11-8-12-16(15(9-11)26-4)20(22)28-18(12)17-13(24-2)6-10(19(21)27-5)7-14(17)25-3/h6-9,18H,1-5H3/t18-/m0/s1 |
| Standard InCHIKey | ZXUSFNVFWVMJOZ-SFHVURJKSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5324642]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4924
Formula: C9H11NO2
Ingredient ID: TCMC4924
| Common Name | Benzoic Acid 2-Methylaminomethylester |
| IUPAC Name | methyl 5-ethylpyridine-3-carboxylate |
| Canonical SMILES | COC(=O)c1cncc(c1)CC |
| Standard InCHI | InChI=1S/C9H11NO2/c1-3-7-4-8(6-10-5-7)9(11)12-2/h4-6H,3H2,1-2H3 |
| Standard InCHIKey | SVJRFDLLBQTDOV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5323747]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4337
Formula: C15H24
Ingredient ID: TCMC4337
| Common Name | (E,E)-Α-Farnesene,3,7,11-Trimethyldodeca-1,3,6,10-Tetraene,Farnesene,Α-Farnesene |
| IUPAC Name | (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene |
| Canonical SMILES | C=C/C(=C/C/C=C(/CCC=C(C)C)C)/C |
| Standard InCHI | InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+ |
| Standard InCHIKey | CXENHBSYCFFKJS-VDQVFBMKSA-N |
| External Identifiers | ChEMBL [CHEMBL3182226]; PubChem [5281516]; |
| Reference of Component-Ingredient Pair | 20044567 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH243 | Pericarpium citri reticulatae | Chen Pi | 陈皮 |
| TCMH2725 | Fructus perillae | Zi Su Zi | 紫苏子 |
| TCMH544 | Curcuma aeruginosa | E Zhu | 莪术 |
| TCMH877 | Radix ginseng rubra | Hong Shen | 红参 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC4136
Formula: C11H16O
Ingredient ID: TCMC4136
| Common Name | 4-(1,1-Dimethylethyl)-Benzenemethanol |
| IUPAC Name | (4E)-4-ethylidene-2,6,6-trimethylcyclohex-2-en-1-one |
| Canonical SMILES | C/C=C1/C=C(C)C(=O)C(C1)(C)C |
| Standard InCHI | InChI=1S/C11H16O/c1-5-9-6-8(2)10(12)11(3,4)7-9/h5-6H,7H2,1-4H3/b9-5- |
| Standard InCHIKey | GHZGOFPPZRIGRM-UITAMQMPSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [643928]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4133
Formula: C10H16O
Ingredient ID: TCMC4133
| Common Name | Citral,Neral |
| IUPAC Name | (2Z)-3,7-dimethylocta-2,6-dienal |
| Canonical SMILES | O=C/C=C(CCC=C(C)C)/C |
| Standard InCHI | InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7- |
| Standard InCHIKey | WTEVQBCEXWBHNA-YFHOEESVSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [643779]; |
| Reference of Component-Ingredient Pair | 22945026 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH1695 | Pericarpium citri reticulatae viride | Qing Pi | 青皮 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH216 | Fructus tsaoko | Cao Guo | 草果 |
| TCMH243 | Pericarpium citri reticulatae | Chen Pi | 陈皮 |
| TCMH512 | Fructus amomi rotundus | Dou Kou | 豆蔻 |
| TCMH925 | Exocarpium citri grandis | Hua Ju Hong | 化橘红 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC3824
Formula: C10H16
Ingredient ID: TCMC3824
| Common Name | (-)-Nopinene,(1S,5S)-6,6-Dimethyl-2-Methylenebicyclo[3.1.1]Heptane,Β-Pinene |
| IUPAC Name | (1S,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane |
| Canonical SMILES | C=C1CC[C@H]2C[C@@H]1C2(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1 |
| Standard InCHIKey | WTARULDDTDQWMU-IUCAKERBSA-N |
| External Identifiers | ChEMBL [CHEMBL3184774]; PubChem [440967]; |
| Reference of Component-Ingredient Pair | 23449869 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3745
Formula: C28H34O15
Ingredient ID: TCMC3745
| Common Name | Neohesperidin |
| IUPAC Name | 7-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one |
| Canonical SMILES | OCC1OC(Oc2cc3OC(CC(=O)c3c(c2)O)c2ccc(c(c2)O)OC)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O |
| Standard InCHI | InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3 |
| Standard InCHIKey | ARGKVCXINMKCAZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [232990]; |
| Reference of Component-Ingredient Pair | 28554169 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3506
Formula: C9H18O
Ingredient ID: TCMC3506
| Common Name | Nonaylaldehyde |
| IUPAC Name | 3,3,4,4-tetramethylpentan-2-one |
| Canonical SMILES | CC(=O)C(C(C)(C)C)(C)C |
| Standard InCHI | InChI=1S/C9H18O/c1-7(10)9(5,6)8(2,3)4/h1-6H3 |
| Standard InCHIKey | VVCKMVBQLNBXOE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [136665]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3452
Formula: C19H18O8
Ingredient ID: TCMC3452
| Common Name | 5-Hydroxy-6,7,8,4'-Tetramethoxyflavone,Skullcapflavone I,Skullcapflavone II |
| IUPAC Name | 5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxychromen-4-one |
| Canonical SMILES | COc1cccc(c1c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)OC)O |
| Standard InCHI | InChI=1S/C19H18O8/c1-23-11-7-5-6-9(20)13(11)12-8-10(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-12/h5-8,20,22H,1-4H3 |
| Standard InCHIKey | GMQFOKBGMKVUQZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL465561]; PubChem [124211]; |
| Reference of Component-Ingredient Pair | 22235229 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3234
Formula: C19H18O7
Ingredient ID: TCMC3234
| Common Name | 4'-Hydroxy-5,6,7,8-Tetramethoxyflavone |
| IUPAC Name | 4-[1-[3-methyl-5-(5-oxo-2H-furan-3-yl)-1-benzofuran-2-yl]ethoxy]-4-oxobutanoic acid |
| Canonical SMILES | [O-]C(=O)CCC(=O)OC(c1oc2c(c1C)cc(cc2)C1=CC(=O)OC1)C |
| Standard InCHI | InChI=1S/C19H18O7/c1-10-14-7-12(13-8-18(23)24-9-13)3-4-15(14)26-19(10)11(2)25-17(22)6-5-16(20)21/h3-4,7-8,11H,5-6,9H2,1-2H3,(H,20,21)/p-1 |
| Standard InCHIKey | URIZBPYQIRFMBF-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [71817]; |
| Reference of Component-Ingredient Pair | 6374499 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3141
Formula: C8H18O
Ingredient ID: TCMC3141
| Common Name | Octanol |
| IUPAC Name | 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane |
| Canonical SMILES | CC(OC(C)(C)C)(C)C |
| Standard InCHI | InChI=1S/C8H18O/c1-7(2,3)9-8(4,5)6/h1-6H3 |
| Standard InCHIKey | AQEFLFZSWDEAIP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [22541]; |
| Reference of Component-Ingredient Pair | 20961426 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3126
Formula: C10H16
Ingredient ID: TCMC3126
| Common Name | 1-Isopropyl-4-Methylenebicyclo[3.1.0]Hexane,Sabinene |
| IUPAC Name | 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane |
| Canonical SMILES | C=C1CCC2(C1C2)C(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3 |
| Standard InCHIKey | NDVASEGYNIMXJL-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL452687]; PubChem [18818]; |
| Reference of Component-Ingredient Pair | 22953925 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1835 | Kaempferia galanga | Shan Nai | 山柰 |
| TCMH2295 | fructus foeniculi | Xiao Hui Xiang | 小茴香 |
| TCMH243 | Pericarpium citri reticulatae | Chen Pi | 陈皮 |
| TCMH2618 | Citrus aurantium | Zhi Ke | 枳壳 |
| TCMH2630 | Citrus aurantium | Zhi Shi | 枳实 |
| TCMH512 | Fructus amomi rotundus | Dou Kou | 豆蔻 |
| TCMH544 | Curcuma aeruginosa | E Zhu | 莪术 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC3115
Formula: C10H18
Ingredient ID: TCMC3115
| Common Name | Α-Thujene |
| IUPAC Name | dec-4-yne |
| Canonical SMILES | CCCCCC#CCCC |
| Standard InCHI | InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-7,9H2,1-2H3 |
| Standard InCHIKey | KVUNBQMRRNMQIZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [16944]; |
| Reference of Component-Ingredient Pair | 21139846 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3079
Formula: C8H16O
Ingredient ID: TCMC3079
| Common Name | Octanal |
| IUPAC Name | cyclooctanol |
| Canonical SMILES | OC1CCCCCCC1 |
| Standard InCHI | InChI=1S/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2 |
| Standard InCHIKey | FHADSMKORVFYOS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL457729]; PubChem [12766]; |
| Reference of Component-Ingredient Pair | 21541426 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2929
Formula: C10H14O
Ingredient ID: TCMC2929
| Common Name | Carvacrol |
| IUPAC Name | 2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one |
| Canonical SMILES | CC(=C)C1CC=C(C(=O)C1)C |
| Standard InCHI | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3 |
| Standard InCHIKey | ULDHMXUKGWMISQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL15676]; PubChem [7439]; |
| Reference of Component-Ingredient Pair | 29191726 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2925
Formula: C10H20O
Ingredient ID: TCMC2925
| Common Name | Decanal |
| IUPAC Name | 4-tert-butylcyclohexan-1-ol |
| Canonical SMILES | OC1CCC(CC1)C(C)(C)C |
| Standard InCHI | InChI=1S/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3 |
| Standard InCHIKey | CCOQPGVQAWPUPE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1886723]; PubChem [7391]; |
| Reference of Component-Ingredient Pair | 19913605 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2660
Formula: C11H20O
Ingredient ID: TCMC2660
| Common Name | (E)-2-Undecenal |
| IUPAC Name | (E)-undec-2-enal |
| Canonical SMILES | CCCCCCCC/C=C/C=O |
| Standard InCHI | InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+ |
| Standard InCHIKey | PANBRUWVURLWGY-MDZDMXLPSA-N |
| External Identifiers | ChEMBL [CHEMBL451328]; PubChem [5283356]; |
| Reference of Component-Ingredient Pair | 26604343 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1469 | Flos mume | Mei Hua | 梅花 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH2056 | Cynomorium songaricum | Suo Yang | 锁阳 |
| TCMH2071 | Prunus persica | Tao | 桃 |
| TCMH2073 | Prunus persica | Tao Ren | 桃仁 |
| TCMH2074 | Prunus persica | Tao Ren Shuang | 桃仁霜 |
| TCMH2077 | Prunus persica | Tao Zhi | 桃枝 |
| TCMH211 | Atractylodes lancea | Cang Zhu | 苍术 |
| TCMH216 | Fructus tsaoko | Cao Guo | 草果 |
Showing 1 to 10 of 14 entries
Ingredient ID: TCMC2541
Formula: C10H18O
Ingredient ID: TCMC2541
| Common Name | Alpha-Terpineol |
| IUPAC Name | 2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol |
| Canonical SMILES | CC1=CC[C@H](CC1)C(O)(C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1 |
| Standard InCHIKey | WUOACPNHFRMFPN-SECBINFHSA-N |
| External Identifiers | ChEMBL [CHEMBL447597]; PubChem [443162]; |
| Reference of Component-Ingredient Pair | 27231091 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
Showing 1 to 10 of 143 entries
Ingredient ID: TCMC2539
Formula: C10H16
Ingredient ID: TCMC2539
| Common Name | Gamma-Terpinene |
| IUPAC Name | 1-methyl-4-propan-2-ylcyclohexa-1,4-diene |
| Canonical SMILES | CC1=CCC(=CC1)C(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3 |
| Standard InCHIKey | YKFLAYDHMOASIY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL449693]; PubChem [7461]; |
| Reference of Component-Ingredient Pair | 29191726 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1280 | Rhizoma ahemones daddeanae | Liang Tou Jian | 两头尖 |
Showing 1 to 10 of 92 entries
Ingredient ID: TCMC2281
Formula: C28H34O9
Ingredient ID: TCMC2281
| Common Name | Nomilin |
| IUPAC Name | n.a. |
| Canonical SMILES | CC(=O)O[C@H]1CC(=O)OC([C@H]2[C@@]1(C)[C@H]1CC[C@@]3([C@]4([C@@]1(C(=O)C2)C)O[C@@H]4C(=O)O[C@@H]3c1ccoc1)C)(C)C |
| Standard InCHI | InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19+,21-,22-,25+,26-,27+,28-/m1/s1 |
| Standard InCHIKey | KPDOJFFZKAUIOE-MFPNAYRGSA-N |
| External Identifiers | ChEMBL [CHEMBL500167]; PubChem [12313416]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2166
Formula: C10H14O
Ingredient ID: TCMC2166
| Common Name | Thymol |
| IUPAC Name | 5-methyl-2-propan-2-ylphenol |
| Canonical SMILES | Cc1ccc(c(c1)O)C(C)C |
| Standard InCHI | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3 |
| Standard InCHIKey | MGSRCZKZVOBKFT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL29411]; PubChem [6989]; |
| Reference of Component-Ingredient Pair | 29191726 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1292 | Radix smilacis | Ling Xian | 灵仙 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1380 | Humulus japonicus | Lv Cao | 葎草 |
Showing 1 to 10 of 69 entries
Ingredient ID: TCMC2123
Formula: C20H20O7
Ingredient ID: TCMC2123
| Common Name | Tangeretin |
| IUPAC Name | 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1ccc(cc1)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC |
| Standard InCHI | InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3 |
| Standard InCHIKey | ULSUXBXHSYSGDT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL73930]; PubChem [68077]; |
| Reference of Component-Ingredient Pair | 23107751 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1097 | Fortunella japonica | Jin Gan | 金柑 |
| TCMH1104 | Fortunella margarita | Jin Ju | 金橘 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1695 | Pericarpium citri reticulatae viride | Qing Pi | 青皮 |
| TCMH1975 | Gnaphalium affine | Shu Qu Cao | 鼠曲草 |
| TCMH2191 | Prunus mume | Wu Mei | 乌梅 |
| TCMH2192 | Prunus mume | Wu Mei Rou | 乌梅肉 |
| TCMH2201 | Securidaca inappendiculata | Wu Wei Teng | 五味藤 |
Showing 1 to 10 of 21 entries
Ingredient ID: TCMC1860
Formula: C10H14O
Ingredient ID: TCMC1860
| Common Name | Perillaldehyde |
| IUPAC Name | 4-prop-1-en-2-ylcyclohexene-1-carbaldehyde |
| Canonical SMILES | O=CC1=CCC(CC1)C(=C)C |
| Standard InCHI | InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3 |
| Standard InCHIKey | RUMOYJJNUMEFDD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL469537]; PubChem [16441]; |
| Reference of Component-Ingredient Pair | 22489157 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1611 | Rhizoma curcumae | Peng E Zhu | 蓬莪术 |
| TCMH1695 | Pericarpium citri reticulatae viride | Qing Pi | 青皮 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2047 | Fructus perillae | Su Zi | 苏子 |
Showing 1 to 10 of 30 entries
Ingredient ID: TCMC1737
Formula: C10H18O
Ingredient ID: TCMC1737
| Common Name | Nerol |
| IUPAC Name | (2Z)-3,7-dimethylocta-2,6-dien-1-ol |
| Canonical SMILES | OC/C=C(CCC=C(C)C)/C |
| Standard InCHI | InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7- |
| Standard InCHIKey | GLZPCOQZEFWAFX-YFHOEESVSA-N |
| External Identifiers | ChEMBL [CHEMBL452683]; PubChem [643820]; |
| Reference of Component-Ingredient Pair | 11731906 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1247 | Geranium wilfordii | Lao Guan Cao | 老鹳草 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
Showing 1 to 10 of 85 entries
Ingredient ID: TCMC1735
Formula: C27H32O14
Ingredient ID: TCMC1735
| Common Name | Naringin |
| IUPAC Name | (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](CC3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 |
| Standard InCHIKey | DFPMSGMNTNDNHN-ZPHOTFPESA-N |
| External Identifiers | ChEMBL [CHEMBL451532]; PubChem [442428]; |
| Reference of Component-Ingredient Pair | 22260547 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1097 | Fortunella japonica | Jin Gan | 金柑 |
| TCMH1104 | Fortunella margarita | Jin Ju | 金橘 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH1180 | Exocarpium citri rubrum | Ju Hong Pi | 橘红皮 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1255 | Tripterygium wilfordii | Lei Gong Teng | 雷公藤 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
Showing 1 to 10 of 48 entries
Ingredient ID: TCMC1608
Formula: C10H16
Ingredient ID: TCMC1608
| Common Name | Myrcene |
| IUPAC Name | 7-methyl-3-methylideneocta-1,6-diene |
| Canonical SMILES | C=CC(=C)CCC=C(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3 |
| Standard InCHIKey | UAHWPYUMFXYFJY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL455491]; PubChem [31253]; |
| Reference of Component-Ingredient Pair | 22835693 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1114 | Herba glechomae longitubae | Jin Qian Cao | 金钱草 |
| TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 151 entries
Ingredient ID: TCMC1493
Formula: C10H18O
Ingredient ID: TCMC1493
| Common Name | Linalool (+) |
| IUPAC Name | (3R)-3,7-dimethylocta-1,6-dien-3-ol |
| Canonical SMILES | C=C[C@@](CCC=C(C)C)(O)C |
| Standard InCHI | InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m0/s1 |
| Standard InCHIKey | CDOSHBSSFJOMGT-JTQLQIEISA-N |
| External Identifiers | ChEMBL [CHEMBL235672]; PubChem [443158]; |
| Reference of Component-Ingredient Pair | 22394400 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| 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 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
Showing 1 to 10 of 154 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1493 | C10H18O | Linalool (+) | 154.14 | 2.4692 | 2.45 | 2.468 | 1 | 1 | 20.23 | 8 | 0 | 11 | 0 |
| TCMC1608 | C10H16 | Myrcene | 136.13 | 3.0936 | 2.56 | 4.17 | 0 | 0 | 0 | 6 | 0 | 10 | 0 |
| TCMC1735 | C27H32O14 | Naringin | 580.18 | -4.8082 | 2.89 | -1.045 | 10 | 8 | 225.06 | 15 | 5 | 41 | 1 |
| TCMC1737 | C10H18O | Nerol | 154.14 | 2.3397 | 2.45 | 2.524 | 1 | 1 | 20.23 | 8 | 0 | 11 | 0 |
| TCMC1860 | C10H14O | Perillaldehyde | 150.1 | 1.308 | 2.45 | 2.355 | 1 | 0 | 17.07 | 3 | 1 | 11 | 0 |
| TCMC2123 | C20H20O7 | Tangeretin | 372.12 | -0.7626 | 2.89 | 2.236 | 1 | 0 | 72.45 | 11 | 3 | 27 | 0 |
| TCMC2166 | C10H14O | Thymol | 150.1 | 0.7546 | 2.45 | 3.556 | 0 | 1 | 20.23 | 5 | 1 | 11 | 0 |
| TCMC2281 | C28H34O9 | Nomilin | 514.22 | 0.2549 | 3.55 | 2.498 | 8 | 0 | 121.64 | 9 | 6 | 37 | 0 |
| TCMC2539 | C10H16 | Gamma-Terpinene | 136.13 | 2.4017 | 2.56 | 3.852 | 0 | 0 | 0 | 4 | 1 | 10 | 0 |
| TCMC2541 | C10H18O | Alpha-Terpineol | 154.14 | 1.1223 | 2.45 | 2.369 | 1 | 1 | 20.23 | 5 | 1 | 11 | 0 |
Showing 1 to 10 of 39 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
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