Description of the Component
Component ID |
TCMH1665 |
Latin Name |
Notopterygium incisum |
English Name |
Incised notopterygium |
Chinese Pinyin Name |
Qiang Huo |
中文名 |
羌活 |
TCM Properties |
Warm,Pungent,Bitter |
TCM Meridians |
Bladder,Kidney |
Therapeutic Class English |
For relieving exterior syndrome |
Therapeutic Class Chinese |
解表 |
Functions |
relieve pain and rheumatic conditions |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Sichuan Province,Chongqing |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
JF755946 |
Barcode Source |
GenBank |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1091 | Jing Fu Kang Granules | 颈复康颗粒 |
| TCMF1093 | Jing Tong Granules | 颈痛颗粒 |
| TCMF1097 | Ban Tu Pills | 斑秃丸 |
| TCMF1264 | Compound Oral Liquid of Isatis Leaf | 复方大青叶合剂 |
| TCMF127 | Xiong Ju Shang Qing Pills | 芎菊上清丸 |
| TCMF128 | Xiong Ju Shang Qing Tablets | 芎菊上清片 |
| TCMF1320 | Pill for Purging Liver Fire; Fire Cathartic Pill | 泻青丸 |
| TCMF1327 | Chuanxiong Chatiao Pills | 川芎茶调丸 |
| TCMF1338 | Powder of Ligutici Chuanxiong Mixed with Camelliae Sinensis | 川芎茶调散 |
| TCMF1341 | Jiuwei Oianghuo Granules | 九味羌活颗粒 |
Showing 1 to 10 of 374 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 |
| TCMT117 | OPRK1 | Kappa opioid receptor | GPCR | P41145 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| 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 |
Showing 1 to 10 of 54 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1112 | Quinolone resistance protein norA |
| TCMT1212 | Verticillium dahliae |
| TCMT1218 | Staphylococcus aureus |
| TCMT1251 | Candida albicans |
| TCMT1253 | Penicillium chrysogenum |
| TCMT1454 | Bacillus subtilis |
| TCMT1455 | Mycobacterium tuberculosis H37Rv |
| TCMT1462 | Streptococcus mutans |
| TCMT1463 | Mycobacterium tuberculosis |
Showing 1 to 9 of 9 entries
Ingredient Structrues
Ingredient ID: TCMC948
Formula: C9H8O3
Ingredient ID: TCMC948
| Common Name | Coumaric Acid |
| IUPAC Name | (E)-3-(4-hydroxyphenyl)prop-2-enoic acid |
| Canonical SMILES | OC(=O)/C=C/c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ |
| Standard InCHIKey | NGSWKAQJJWESNS-ZZXKWVIFSA-N |
| External Identifiers | ChEMBL [CHEMBL66879]; PubChem [637542]; |
| Reference of Component-Ingredient Pair | 23800587 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
Showing 1 to 10 of 126 entries
Ingredient ID: TCMC788
Formula: C11H6O4
Ingredient ID: TCMC788
| Common Name | Bergaptol |
| IUPAC Name | 4-hydroxyfuro[3,2-g]chromen-7-one |
| Canonical SMILES | O=c1ccc2c(o1)cc1c(c2O)cco1 |
| Standard InCHI | InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H |
| Standard InCHIKey | GIJHDGJRTUSBJR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL242711]; PubChem [5280371]; |
| Reference of Component-Ingredient Pair | 21772602 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC775
Formula: C14H12O2
Ingredient ID: TCMC775
| Common Name | Benzyl Benzoate |
| IUPAC Name | benzyl benzoate |
| Canonical SMILES | O=C(c1ccccc1)OCc1ccccc1 |
| Standard InCHI | InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2 |
| Standard InCHIKey | SESFRYSPDFLNCH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1239]; PubChem [2345]; |
| Reference of Component-Ingredient Pair | 22980009 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH1469 | Flos mume | Mei Hua | 梅花 |
| TCMH1520 | Gallus domesticus | Mu Ji | 母鸡 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1706 | Dianthus superbus | Qu Mai | 瞿麦 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH1979 | Flos lonicerae | Shuang Hua | 双花 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC713
Formula: C12H14O4
Ingredient ID: TCMC713
| Common Name | Apiol |
| IUPAC Name | 4,7-dimethoxy-5-prop-2-enyl-1,3-benzodioxole |
| Canonical SMILES | C=CCc1cc(OC)c2c(c1OC)OCO2 |
| Standard InCHI | InChI=1S/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4,6H,1,5,7H2,2-3H3 |
| Standard InCHIKey | QQRSPHJOOXUALR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1560118]; PubChem [10659]; |
| Reference of Component-Ingredient Pair | 21472076 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH2072 | Rhodomyrtus tomentosa | Tao Jin Niang Gen | 桃金娘根 |
| TCMH2584 | Cinnamomum camphora | Zhang Mu | 樟木 |
| TCMH2585 | Cinnamomum camphora | Zhang Nao | 樟脑 |
| TCMH2587 | Cinnamomum camphora | Zhang Nao Zi | 樟脑子 |
| TCMH2588 | Cinnamomum camphora | Zhang Shu Gen | 樟树根 |
| TCMH2589 | Cinnamomum camphora | Zhang Shu Zi | 樟树子 |
| TCMH2593 | Octopus vulgaris | Zhang Yu | 章鱼 |
Showing 1 to 10 of 15 entries
Ingredient ID: TCMC7065
Formula: C16H32O2
Ingredient ID: TCMC7065
| Common Name | 4,8,12-Trimethyl Tridecanoic Acid |
| IUPAC Name | (4S,8S)-4,8,12-trimethyltridecanoic acid |
| Canonical SMILES | C[C@@H](CCCC(C)C)CCC[C@@H](CCC(=O)[O-])C |
| Standard InCHI | InChI=1S/C16H32O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(17)18/h13-15H,5-12H2,1-4H3,(H,17,18)/p-1/t14-,15-/m0/s1 |
| Standard InCHIKey | FUYCAQNCWDAOLQ-GJZGRUSLSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [101094508]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6993
Formula: C18H36O2
Ingredient ID: TCMC6993
| Common Name | 14-Methyl Hexadecanoic Acid Methyl Ester |
| IUPAC Name | methyl (14R)-14-methylhexadecanoate |
| Canonical SMILES | CC[C@H](CCCCCCCCCCCCC(=O)OC)C |
| Standard InCHI | InChI=1S/C18H36O2/c1-4-17(2)15-13-11-9-7-5-6-8-10-12-14-16-18(19)20-3/h17H,4-16H2,1-3H3/t17-/m1/s1 |
| Standard InCHIKey | AOAFVSVYRSUDBN-QGZVFWFLSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [92223666]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6992
Formula: C17H34O2
Ingredient ID: TCMC6992
| Common Name | 14-Methyl Hexadecanoic Acid |
| IUPAC Name | (14R)-14-methylhexadecanoic acid |
| Canonical SMILES | CC[C@H](CCCCCCCCCCCCC(=O)[O-])C |
| Standard InCHI | InChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)/p-1/t16-/m1/s1 |
| Standard InCHIKey | FXUKWLSZZHVEJD-MRXNPFEDSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [92223663]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6950
Formula: C21H22O5
Ingredient ID: TCMC6950
| Common Name | Notopterol |
| IUPAC Name | 4-[(2E,5S)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one |
| Canonical SMILES | C/C(=CCOc1c2ccoc2cc2c1ccc(=O)o2)/C[C@@H](C=C(C)C)O |
| Standard InCHI | InChI=1S/C21H22O5/c1-13(2)10-15(22)11-14(3)6-8-25-21-16-4-5-20(23)26-19(16)12-18-17(21)7-9-24-18/h4-7,9-10,12,15,22H,8,11H2,1-3H3/b14-6+/t15-/m1/s1 |
| Standard InCHIKey | BKIACVAZUKISOR-SXSSENBOSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [86312209]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6834
Formula: C17H24O2
Ingredient ID: TCMC6834
| Common Name | Trans-Falcarindiol |
| IUPAC Name | (3R,8S,9E)-heptadeca-1,9-dien-4,6-diyne-3,8-diol |
| Canonical SMILES | CCCCCCC/C=C/[C@@H](C#CC#C[C@@H](C=C)O)O |
| Standard InCHI | InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10+/t16-,17+/m1/s1 |
| Standard InCHIKey | QWCNQXNAFCBLLV-KPJVXMDVSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [56935895]; |
| Reference of Component-Ingredient Pair | 3375335 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6792
Formula: C20H26O4
Ingredient ID: TCMC6792
| Common Name | (-)-Bonyl Ferulate |
| IUPAC Name | [(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Canonical SMILES | COc1cc(/C=C/C(=O)O[C@@H]2C[C@@H]3C([C@@]2(C)CC3)(C)C)ccc1O |
| Standard InCHI | InChI=1S/C20H26O4/c1-19(2)14-9-10-20(19,3)17(12-14)24-18(22)8-6-13-5-7-15(21)16(11-13)23-4/h5-8,11,14,17,21H,9-10,12H2,1-4H3/b8-6+/t14-,17-,20+/m1/s1 |
| Standard InCHIKey | PKAIECBWQZFYRP-ILUDWHBUSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [51520862]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6589
Formula: C16H32O2
Ingredient ID: TCMC6589
| Common Name | 12-Methyl Tetradecanoic Acid Methyl Ester |
| IUPAC Name | methyl (12S)-12-methyltetradecanoate |
| Canonical SMILES | CC[C@@H](CCCCCCCCCCC(=O)OC)C |
| Standard InCHI | InChI=1S/C16H32O2/c1-4-15(2)13-11-9-7-5-6-8-10-12-14-16(17)18-3/h15H,4-14H2,1-3H3/t15-/m0/s1 |
| Standard InCHIKey | BJIUDNXPLSJWKE-HNNXBMFYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [23618376]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6308
Formula: C15H30O2
Ingredient ID: TCMC6308
| Common Name | 12-Methyl Tetradecanoic Acid |
| IUPAC Name | (12S)-12-methyltetradecanoic acid |
| Canonical SMILES | CC[C@@H](CCCCCCCCCCC(=O)[O-])C |
| Standard InCHI | InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)/p-1/t14-/m0/s1 |
| Standard InCHIKey | XKLJLHAPJBUBNL-AWEZNQCLSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [16048574]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5347
Formula: C10H16
Ingredient ID: TCMC5347
| Common Name | Β-Pinene |
| IUPAC Name | (1R,5R)-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-/m1/s1 |
| Standard InCHIKey | WTARULDDTDQWMU-RKDXNWHRSA-N |
| External Identifiers | ChEMBL [CHEMBL2269085]; PubChem [10290825]; |
| Reference of Component-Ingredient Pair | 12926889 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4929
Formula: C10H18O
Ingredient ID: TCMC4929
| Common Name | (R)-P-Menth-1-En-4-Ol,Terpinen-4-Ol |
| IUPAC Name | (1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-ol |
| Canonical SMILES | CC1=CC[C@@](CC1)(O)C(C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3/t10-/m0/s1 |
| Standard InCHIKey | WRYLYDPHFGVWKC-JTQLQIEISA-N |
| External Identifiers | ChEMBL [CHEMBL2287509]; PubChem [5325830]; |
| Reference of Component-Ingredient Pair | 18536466 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1397 | Aristolochia debilis | Ma Dou Ling | 马兜铃 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1741 | Myristica fragrans | Rou Dou Kou | 肉豆蔻 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2239 | Asarum sieboldii | Xi Xin | 细辛 |
| TCMH924 | Zanthoxylum bungeanum | Hua Jiao | 花椒 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC4820
Formula: C10H16
Ingredient ID: TCMC4820
| Common Name | (Z)-3,7-Dimethyl-1,3,6-Octatriene ,Β-Cis-Ocimene |
| IUPAC Name | (3Z)-3,7-dimethylocta-1,3,6-triene |
| Canonical SMILES | C=C/C(=CCC=C(C)C)/C |
| Standard InCHI | InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8- |
| Standard InCHIKey | IHPKGUQCSIINRJ-NTMALXAHSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5320250]; |
| Reference of Component-Ingredient Pair | 20013039 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4813
Formula: C21H22O5
Ingredient ID: TCMC4813
| Common Name | Notoptol |
| IUPAC Name | 4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]furo[3,2-g]chromen-7-one |
| Canonical SMILES | C/C(=CCOc1c2ccoc2cc2c1ccc(=O)o2)/C/C=C/C(O)(C)C |
| Standard InCHI | InChI=1S/C21H22O5/c1-14(5-4-10-21(2,3)23)8-11-25-20-15-6-7-19(22)26-18(15)13-17-16(20)9-12-24-17/h4,6-10,12-13,23H,5,11H2,1-3H3/b10-4+,14-8+ |
| Standard InCHIKey | WIEGIEBFVOUTDV-OVXNXNIRSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5320228]; |
| Reference of Component-Ingredient Pair | 19294850 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4753
Formula: C21H40O2
Ingredient ID: TCMC4753
| Common Name | Methyl 11-Eicosenoate |
| IUPAC Name | methyl (E)-icos-11-enoate |
| Canonical SMILES | CCCCCCCC/C=C/CCCCCCCCCC(=O)OC |
| Standard InCHI | InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10+ |
| Standard InCHIKey | RBKMRGOHCLRTLZ-ZHACJKMWSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5319603]; |
| Reference of Component-Ingredient Pair | 23336351 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4692
Formula: C21H20O4
Ingredient ID: TCMC4692
| Common Name | Anhydronotoptol |
| IUPAC Name | 4-[(2E,5E)-3,7-dimethylocta-2,5,7-trienoxy]furo[3,2-g]chromen-7-one |
| Canonical SMILES | C/C(=CCOc1c2ccoc2cc2c1ccc(=O)o2)/C/C=C/C(=C)C |
| Standard InCHI | InChI=1S/C21H20O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h4-5,7-10,12-13H,1,6,11H2,2-3H3/b5-4+,15-9+ |
| Standard InCHIKey | SFUVOLKWTCFJSX-YUQKSTFXSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5319004]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4564
Formula: C16H14O4
Ingredient ID: TCMC4564
| Common Name | Alloisoimperatorin |
| IUPAC Name | 4-hydroxy-9-(3-methylbut-2-enyl)furo[3,2-g]chromen-7-one |
| Canonical SMILES | CC(=CCc1c2occc2c(c2c1oc(=O)cc2)O)C |
| Standard InCHI | InChI=1S/C16H14O4/c1-9(2)3-4-12-15-11(7-8-19-15)14(18)10-5-6-13(17)20-16(10)12/h3,5-8,18H,4H2,1-2H3 |
| Standard InCHIKey | JLCROWZWGSUEMR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5317436]; |
| Reference of Component-Ingredient Pair | 28762091 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4500
Formula: C16H14O4
Ingredient ID: TCMC4500
| Common Name | Demethylfuropinnarin |
| IUPAC Name | 4-hydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one |
| Canonical SMILES | C=CC(c1c2oc(=O)ccc2c(c2c1occ2)O)(C)C |
| Standard InCHI | InChI=1S/C16H14O4/c1-4-16(2,3)12-14-10(7-8-19-14)13(18)9-5-6-11(17)20-15(9)12/h4-8,18H,1H2,2-3H3 |
| Standard InCHIKey | XYCSWDLNRXCFHA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1734870]; PubChem [5316520]; |
| Reference of Component-Ingredient Pair | 22792615 |
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: TCMC4341
Formula: C10H16
Ingredient ID: TCMC4341
| Common Name | Trans-Beta-Ocimene |
| IUPAC Name | (3E)-3,7-dimethylocta-1,3,6-triene |
| Canonical SMILES | C=C/C(=C/CC=C(C)C)/C |
| Standard InCHI | InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+ |
| Standard InCHIKey | IHPKGUQCSIINRJ-CSKARUKUSA-N |
| External Identifiers | ChEMBL [CHEMBL2228374]; PubChem [5281553]; |
| Reference of Component-Ingredient Pair | 21249432 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4101
Formula: C10H16
Ingredient ID: TCMC4101
| Common Name | Thujene |
| IUPAC Name | (1R)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene |
| Canonical SMILES | CC1=CC[C@]2([C@@H]1C2)C(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3/t9-,10-/m1/s1 |
| Standard InCHIKey | KQAZVFVOEIRWHN-NXEZZACHSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [637518]; |
| Reference of Component-Ingredient Pair | US8865930 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3966
Formula: C29H50O
Ingredient ID: TCMC3966
| Common Name | Sitosterol,Β-Sitosterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-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-FBZNIEFRSA-N |
| External Identifiers | ChEMBL [CHEMBL221542]; PubChem [457801]; |
| Reference of Component-Ingredient Pair | 23115546 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH121 | Biota orientalis | Bai Zi Ren | 柏子仁 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH1359 | Pyrola calliantha | Lu Xian Cao | 鹿衔草 |
| TCMH1368 | Apocyni veneti folium | Luo Bu Ma Ye | 罗布麻叶 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
Showing 1 to 10 of 71 entries
Ingredient ID: TCMC3825
Formula: C10H16
Ingredient ID: TCMC3825
| Common Name | Α-Pinene |
| IUPAC Name | (1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene |
| Canonical SMILES | CC1=CC[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/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1 |
| Standard InCHIKey | GRWFGVWFFZKLTI-IUCAKERBSA-N |
| External Identifiers | ChEMBL [CHEMBL3109297]; PubChem [440968]; |
| Reference of Component-Ingredient Pair | 19067113 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1397 | Aristolochia debilis | Ma Dou Ling | 马兜铃 |
| TCMH1617 | Eriobotrya japonica thunb | Pi Pa Ye | 枇杷叶 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1695 | Pericarpium citri reticulatae viride | Qing Pi | 青皮 |
| TCMH1741 | Myristica fragrans | Rou Dou Kou | 肉豆蔻 |
| TCMH188 | Mentha haplocalyx | Bo He | 薄荷 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC3814
Formula: C6H12O5
Ingredient ID: TCMC3814
| Common Name | Rhamnose |
| IUPAC Name | (2R,3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol |
| Canonical SMILES | O[C@H]1[C@H](C)O[C@H]([C@@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m0/s1 |
| Standard InCHIKey | SHZGCJCMOBCMKK-HGVZOGFYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [439710]; |
| Reference of Component-Ingredient Pair | 23836132 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3769
Formula: C14H14O4
Ingredient ID: TCMC3769
| Common Name | Marmesin |
| IUPAC Name | (2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one |
| Canonical SMILES | O=c1ccc2c(o1)cc1c(c2)C[C@H](O1)C(O)(C)C |
| Standard InCHI | InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m0/s1 |
| Standard InCHIKey | FWYSBEAFFPBAQU-LBPRGKRZSA-N |
| External Identifiers | ChEMBL [CHEMBL442813]; PubChem [334704]; |
| Reference of Component-Ingredient Pair | 21213977 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3742
Formula: C15H26O
Ingredient ID: TCMC3742
| Common Name | Guaiol |
| IUPAC Name | 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol |
| Canonical SMILES | C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(O)(C)C |
| Standard InCHI | InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+/m0/s1 |
| Standard InCHIKey | TWVJWDMOZJXUID-SDDRHHMPSA-N |
| External Identifiers | ChEMBL [CHEMBL226915]; PubChem [227829]; |
| Reference of Component-Ingredient Pair | 22422531 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1423 | Ophiopogon japonicus | Mai Dong | 麦冬 |
| TCMH144 | Herba artemisiae anomalae | Bei Liu Ji Nu | 北刘寄奴 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH1920 | Acorus tatarinowii | Shi Chang Pu | 石菖蒲 |
| TCMH211 | Atractylodes lancea | Cang Zhu | 苍术 |
| TCMH517 | Angelica pubescens | Du Huo | 独活 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC3335
Formula: C12H20O2
Ingredient ID: TCMC3335
| Common Name | Acetylborneol,Bornyl Acetate,L-Bornyl Acetate |
| IUPAC Name | [(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate |
| Canonical SMILES | CC(=O)O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C |
| Standard InCHI | InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m0/s1 |
| Standard InCHIKey | KGEKLUUHTZCSIP-HOSYDEDBSA-N |
| External Identifiers | ChEMBL [CHEMBL3186761]; PubChem [93009]; |
| Reference of Component-Ingredient Pair | 21162008 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1397 | Aristolochia debilis | Ma Dou Ling | 马兜铃 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2239 | Asarum sieboldii | Xi Xin | 细辛 |
| TCMH2545 | Houttuynia cordata | Yu Xing Cao | 鱼腥草 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC3166
Formula: C15H30O2
Ingredient ID: TCMC3166
| Common Name | Methyl Myristate |
| IUPAC Name | methyl tetradecanoate |
| Canonical SMILES | CCCCCCCCCCCCCC(=O)OC |
| Standard InCHI | InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3 |
| Standard InCHIKey | ZAZKJZBWRNNLDS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL207549]; PubChem [31284]; |
| Reference of Component-Ingredient Pair | 20234969 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3117
Formula: C23H46O2
Ingredient ID: TCMC3117
| Common Name | Tricosanoic Acid |
| IUPAC Name | tricosanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] |
| Standard InCHI | InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)/p-1 |
| Standard InCHIKey | XEZVDURJDFGERA-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [CHEMBL1173462]; PubChem [17085]; |
| Reference of Component-Ingredient Pair | 21833168 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3093
Formula: C21H42O2
Ingredient ID: TCMC3093
| Common Name | Methyl Eicosanoate |
| IUPAC Name | methyl icosanoate |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCC(=O)OC |
| Standard InCHI | InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3 |
| Standard InCHIKey | QGBRLVONZXHAKJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [14259]; |
| Reference of Component-Ingredient Pair | 21699688 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3036
Formula: C10H16
Ingredient ID: TCMC3036
| Common Name | Terpinolene,Α-Terpinolene |
| IUPAC Name | 1-methyl-4-propan-2-ylidenecyclohexene |
| Canonical SMILES | CC1=CCC(=C(C)C)CC1 |
| Standard InCHI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3 |
| Standard InCHIKey | MOYAFQVGZZPNRA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL454697]; PubChem [11463]; |
| Reference of Component-Ingredient Pair | 22539043 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3032
Formula: C24H48O2
Ingredient ID: TCMC3032
| Common Name | Lignoceric Acid |
| IUPAC Name | tetracosanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] |
| Standard InCHI | InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)/p-1 |
| Standard InCHIKey | QZZGJDVWLFXDLK-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [CHEMBL1173620]; PubChem [11197]; |
| Reference of Component-Ingredient Pair | 22124468 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH193 | Psoralea corylifolia | Bu Gu Zhi | 补骨脂 |
| TCMH228 | Bupleurum chinense | Chai Hu | 柴胡 |
| TCMH2488 | Alpinia oxyphylla | Yi Zhi | 益智 |
| TCMH387 | Callicarpa macrophylla | Da Ye Zi Zhu | 大叶紫珠 |
| TCMH421 | Angelica sinensis | Dang Gui | 当归 |
| TCMH562 | Saposhnikovia divaricata | Fang Feng | 防风 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC302
Formula: C16H16O4
Ingredient ID: TCMC302
| Common Name | 2-(4-Hydroxyphenyl)Ethyl 4-Methoxybenzoate |
| IUPAC Name | 2-(4-hydroxyphenyl)ethyl 4-methoxybenzoate |
| Canonical SMILES | COc1ccc(cc1)C(=O)OCCc1ccc(cc1)O |
| Standard InCHI | InChI=1S/C16H16O4/c1-19-15-8-4-13(5-9-15)16(18)20-11-10-12-2-6-14(17)7-3-12/h2-9,17H,10-11H2,1H3 |
| Standard InCHIKey | DSMAYKYXHOGICG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1078244]; PubChem [14704104]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3007
Formula: C25H50O2
Ingredient ID: TCMC3007
| Common Name | N-Pentacosanoic Acid |
| IUPAC Name | pentacosanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] |
| Standard InCHI | InChI=1S/C25H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-24H2,1H3,(H,26,27)/p-1 |
| Standard InCHIKey | MWMPEAHGUXCSMY-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [10468]; |
| Reference of Component-Ingredient Pair | 21331190 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2967
Formula: C19H38O2
Ingredient ID: TCMC2967
| Common Name | Methyl Octadecanoate |
| IUPAC Name | methyl octadecanoate |
| Canonical SMILES | CCCCCCCCCCCCCCCCCC(=O)OC |
| Standard InCHI | InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3 |
| Standard InCHIKey | HPEUJPJOZXNMSJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [8201]; |
| Reference of Component-Ingredient Pair | 22113189 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2886
Formula: C12H22O11
Ingredient ID: TCMC2886
| Common Name | Sucrose |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 |
| Standard InCHIKey | CZMRCDWAGMRECN-UGDNZRGBSA-N |
| External Identifiers | ChEMBL [CHEMBL253582]; PubChem [5988]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1329 | Arillus longan | Long Yan Rou | 龙眼肉 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH182 | Areca catechu | Bing Lang | 槟榔 |
| TCMH1848 | Crataegus pinnatifida | Shan Zha | 山楂 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC284
Formula: C10H16
Ingredient ID: TCMC284
| Common Name | 1-Methyl-4-Prop-1-En-2-Ylcyclohexene |
| IUPAC Name | 1-methyl-4-prop-1-en-2-ylcyclohexene |
| Canonical SMILES | CC1=CCC(CC1)C(=C)C |
| Standard InCHI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3 |
| Standard InCHIKey | XMGQYMWWDOXHJM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL15799]; PubChem [22311]; |
| Reference of Component-Ingredient Pair | 23449869 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| 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 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
Showing 1 to 10 of 105 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: TCMC2491
Formula: C3H6O2
Ingredient ID: TCMC2491
| Common Name | Propionic Acid |
| IUPAC Name | propanoic acid |
| Canonical SMILES | CCC(=O)O |
| Standard InCHI | InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) |
| Standard InCHIKey | XBDQKXXYIPTUBI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14021]; PubChem [1032]; |
| Reference of Component-Ingredient Pair | 22199215 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1150 | Gynura segetum | Jing Tian San Qi | 景天三七 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
Showing 1 to 10 of 51 entries
Ingredient ID: TCMC2484
Formula: C10H18O
Ingredient ID: TCMC2484
| Common Name | Terpineol |
| IUPAC Name | 4-methyl-1-propan-2-ylcyclohex-3-en-1-ol |
| Canonical SMILES | CC1=CCC(CC1)(O)C(C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3 |
| Standard InCHIKey | WRYLYDPHFGVWKC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL507795]; PubChem [11230]; |
| Reference of Component-Ingredient Pair | 23122094 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| 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 |
| 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 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 101 entries
Ingredient ID: TCMC2381
Formula: C8H10O
Ingredient ID: TCMC2381
| Common Name | Phenylethyl Alcohol |
| IUPAC Name | 2-phenylethanol |
| Canonical SMILES | OCCc1ccccc1 |
| Standard InCHI | InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
| Standard InCHIKey | WRMNZCZEMHIOCP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL448500]; PubChem [6054]; |
| Reference of Component-Ingredient Pair | 22980851 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
Showing 1 to 10 of 61 entries
Ingredient ID: TCMC2324
Formula: C10H16
Ingredient ID: TCMC2324
| Common Name | Limonene |
| IUPAC Name | (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene |
| Canonical SMILES | CC1=CC[C@@H](CC1)C(=C)C |
| Standard InCHI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1 |
| Standard InCHIKey | XMGQYMWWDOXHJM-JTQLQIEISA-N |
| External Identifiers | ChEMBL [CHEMBL449062]; PubChem [440917]; |
| Reference of Component-Ingredient Pair | 22945026 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| 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 |
Showing 1 to 10 of 147 entries
Ingredient ID: TCMC2313
Formula: C10H18O
Ingredient ID: TCMC2313
| Common Name | Trans-2-Decenal |
| IUPAC Name | (E)-dec-2-enal |
| Canonical SMILES | CCCCCCC/C=C/C=O |
| Standard InCHI | InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3/b9-8+ |
| Standard InCHIKey | MMFCJPPRCYDLLZ-CMDGGOBGSA-N |
| External Identifiers | ChEMBL [CHEMBL507518]; PubChem [5283345]; |
| Reference of Component-Ingredient Pair | 24249135 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1848 | Crataegus pinnatifida | Shan Zha | 山楂 |
| TCMH1849 | Crataegus pinnatifida | Shan Zha Chou Gao | 山楂稠膏 |
| TCMH1852 | Crataegus pinnatifida | Shan Zha Qing Gao | 山楂清膏 |
| TCMH1853 | Crataegus pinnatifida | Shan Zha Tan | 山楂炭 |
| TCMH2026 | Lignum pini nodi | Song Jie | 松节 |
| TCMH2056 | Cynomorium songaricum | Suo Yang | 锁阳 |
Showing 1 to 10 of 31 entries
Ingredient ID: TCMC2242
Formula: C15H14O4
Ingredient ID: TCMC2242
| Common Name | Xanthoxyletin |
| IUPAC Name | 5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one |
| Canonical SMILES | COc1c2C=CC(Oc2cc2c1ccc(=O)o2)(C)C |
| Standard InCHI | InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-8H,1-3H3 |
| Standard InCHIKey | JSJIIHRNDMLJGK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL501358]; PubChem [66548]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1390 | Poncirus trifoliata | Lv Yi Zhi Shi | 绿衣枳实 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1866 | Cnidium monnieri | She Chuang Zi | 蛇床子 |
| TCMH1872 | Cnidium monnieri | She Ma Zi | 蛇麻子 |
| TCMH2201 | Securidaca inappendiculata | Wu Wei Teng | 五味藤 |
| TCMH292 | Notopterygium incisum | Chuan Qiang Huo | 川羌活 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC2105
Formula: C18H36O2
Ingredient ID: TCMC2105
| Common Name | Stearic Acid |
| IUPAC Name | octadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) |
| Standard InCHIKey | QIQXTHQIDYTFRH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL46403]; PubChem [5281]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| 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 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 176 entries
Ingredient ID: TCMC2006
Formula: C20H30O
Ingredient ID: TCMC2006
| Common Name | Retinol |
| IUPAC Name | (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol |
| Canonical SMILES | OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C)C |
| Standard InCHI | InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ |
| Standard InCHIKey | FPIPGXGPPPQFEQ-OVSJKPMPSA-N |
| External Identifiers | ChEMBL [CHEMBL986]; PubChem [445354]; |
| Reference of Component-Ingredient Pair | 25051504 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
| TCMH1444 | Datura metel | Man Tuo Luo Ye | 曼陀罗叶 |
| TCMH1445 | Datura metel | Man Tuo Luo Zi | 曼陀罗子 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1846 | Artemisia capillaris | Shan Yin Chen | 山茵陈 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH2154 | Artemisia capillaris | Tu Yin Chen Hao | 土茵陈蒿 |
Showing 1 to 10 of 16 entries
Ingredient ID: TCMC1866
Formula: C17H16O5
Ingredient ID: TCMC1866
| Common Name | Phellopterin |
| IUPAC Name | 4-methoxy-9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one |
| Canonical SMILES | COc1c2ccoc2c(c2c1ccc(=O)o2)OCC=C(C)C |
| Standard InCHI | InChI=1S/C17H16O5/c1-10(2)6-8-21-17-15-12(7-9-20-15)14(19-3)11-4-5-13(18)22-16(11)17/h4-7,9H,8H2,1-3H3 |
| Standard InCHIKey | BMLZFLQMBMYVHG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL452751]; PubChem [98608]; |
| Reference of Component-Ingredient Pair | 29766316 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH118 | Angelica dahurica | Bai Zhi | 白芷 |
| TCMH119 | Angelica dahurica | Bai Zhi Jin Gao Fen | 白芷浸膏粉 |
| TCMH1277 | Alpinia officinarum | Liang Jiang | 良姜 |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH2174 | Angelica dahurica | Wu Bai Zhi | 吴白芷 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC1858
Formula: C16H14O4
Ingredient ID: TCMC1858
| Common Name | Pentosalen |
| IUPAC Name | 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one |
| Canonical SMILES | CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C |
| Standard InCHI | InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3 |
| Standard InCHIKey | OLOOJGVNMBJLLR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL453805]; PubChem [10212]; |
| Reference of Component-Ingredient Pair | 23019888 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1656 | Angelica decursiva | Qian Hu | 前胡 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
| TCMH1866 | Cnidium monnieri | She Chuang Zi | 蛇床子 |
| TCMH1872 | Cnidium monnieri | She Ma Zi | 蛇麻子 |
| TCMH2281 | Citrus medica | Xiang Yuan | 香橼 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC1803
Formula: C15H16O3
Ingredient ID: TCMC1803
| Common Name | Osthole |
| IUPAC Name | 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one |
| Canonical SMILES | COc1ccc2c(c1CC=C(C)C)oc(=O)cc2 |
| Standard InCHI | InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3 |
| Standard InCHIKey | MBRLOUHOWLUMFF-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL52229]; PubChem [10228]; |
| Reference of Component-Ingredient Pair | 22454682 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1866 | Cnidium monnieri | She Chuang Zi | 蛇床子 |
| TCMH1872 | Cnidium monnieri | She Ma Zi | 蛇麻子 |
| TCMH211 | Atractylodes lancea | Cang Zhu | 苍术 |
| TCMH2252 | Agrimonia pilosa var. japonica | Xian He Cao | 仙鹤草 |
| TCMH2253 | Agrimonia pilosa var. japonica | Xian He Cao Jin Gao Fen | 仙鹤草浸膏粉 |
| TCMH2281 | Citrus medica | Xiang Yuan | 香橼 |
| TCMH2282 | Citrus medica | Xiang Yuan Pi | 香橼皮 |
| TCMH253 | Citrus aurantium | Cheng Pi | 橙皮 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC1802
Formula: C14H14O3
Ingredient ID: TCMC1802
| Common Name | Osthenol |
| IUPAC Name | 7-hydroxy-8-(3-methylbut-2-enyl)chromen-2-one |
| Canonical SMILES | CC(=CCc1c(O)ccc2c1oc(=O)cc2)C |
| Standard InCHI | InChI=1S/C14H14O3/c1-9(2)3-6-11-12(15)7-4-10-5-8-13(16)17-14(10)11/h3-5,7-8,15H,6H2,1-2H3 |
| Standard InCHIKey | RAKJVIPCCGXHHS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL350475]; PubChem [5320318]; |
| Reference of Component-Ingredient Pair | 27527830 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1764
Formula: C21H22O5
Ingredient ID: TCMC1764
| Common Name | Notopterol |
| IUPAC Name | 4-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one |
| Canonical SMILES | C/C(=CCOc1c2ccoc2cc2c1ccc(=O)o2)/CC(C=C(C)C)O |
| Standard InCHI | InChI=1S/C21H22O5/c1-13(2)10-15(22)11-14(3)6-8-25-21-16-4-5-20(23)26-19(16)12-18-17(21)7-9-24-18/h4-7,9-10,12,15,22H,8,11H2,1-3H3/b14-6+ |
| Standard InCHIKey | BKIACVAZUKISOR-MKMNVTDBSA-N |
| External Identifiers | ChEMBL [CHEMBL258939]; PubChem [5320227]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
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: TCMC1396
Formula: C16H10N2O2
Ingredient ID: TCMC1396
| Common Name | Isoindigo |
| IUPAC Name | (3E)-3-(2-oxo-1H-indol-3-ylidene)-1H-indol-2-one |
| Canonical SMILES | OC1=Nc2c(/C/1=C/1C(=Nc3c1cccc3)O)cccc2 |
| Standard InCHI | InChI=1S/C16H10N2O2/c19-15-13(9-5-1-3-7-11(9)17-15)14-10-6-2-4-8-12(10)18-16(14)20/h1-8H,(H,17,19)(H,18,20)/b14-13+ |
| Standard InCHIKey | MLCPSWPIYHDOKG-BUHFOSPRSA-N |
| External Identifiers | ChEMBL [CHEMBL515155]; PubChem [5318575]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
| TCMH1538 | Baphicacanthus cusia | Nan Ban Lan Gen Jin Gao Fen | 南板蓝根浸膏粉 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1678 | Indigo naturalis | Qing Dai | 青黛 |
| TCMH279 | Angelica pubescens | Chuan Du Huo | 川独活 |
| TCMH292 | Notopterygium incisum | Chuan Qiang Huo | 川羌活 |
| TCMH517 | Angelica pubescens | Du Huo | 独活 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC1395
Formula: C16H14O4
Ingredient ID: TCMC1395
| Common Name | Isoimperatorin |
| IUPAC Name | 4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one |
| Canonical SMILES | CC(=CCOc1c2ccoc2cc2c1ccc(=O)o2)C |
| Standard InCHI | InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3 |
| Standard InCHIKey | IGWDEVSBEKYORK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL448060]; PubChem [68081]; |
| Reference of Component-Ingredient Pair | 20082250 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1782 | Ruta graveolens | San Ya Ku | 三桠苦 |
| TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
| TCMH2281 | Citrus medica | Xiang Yuan | 香橼 |
| TCMH2282 | Citrus medica | Xiang Yuan Pi | 香橼皮 |
Showing 1 to 10 of 22 entries
Ingredient ID: TCMC1209
Formula: C4H9NO2
Ingredient ID: TCMC1209
| Common Name | Gamma-Aminobutyric Acid |
| IUPAC Name | 4-aminobutanoic acid |
| Canonical SMILES | NCCCC(=O)O |
| Standard InCHI | InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) |
| Standard InCHIKey | BTCSSZJGUNDROE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL96]; PubChem [119]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| TCMH1575 | Bubalus bubalis | Niu Jiao Fen | 牛角粉 |
Showing 1 to 10 of 58 entries
Ingredient ID: TCMC1101
Formula: C11H12O3
Ingredient ID: TCMC1101
| Common Name | Elemicin |
| IUPAC Name | 4-methoxy-6-prop-2-enyl-1,3-benzodioxole |
| Canonical SMILES | C=CCc1cc(OC)c2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3 |
| Standard InCHIKey | BNWJOHGLIBDBOB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL481044]; PubChem [4276]; |
| Reference of Component-Ingredient Pair | 29174417 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1292 | Radix smilacis | Ling Xian | 灵仙 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
| TCMH1551 | Asarum forbesii | Nan Xi Xin | 南细辛 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
Showing 1 to 10 of 59 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1101 | C11H12O3 | Elemicin | 192.08 | 0.6742 | 2.34 | 2.486 | 0 | 0 | 27.69 | 4 | 2 | 14 | 0 |
| TCMC1209 | C4H9NO2 | Gamma-Aminobutyric Acid | 103.06 | -1.2313 | 1.57 | -0.668 | 3 | 2 | 63.32 | 5 | 0 | 7 | 0 |
| TCMC1395 | C16H14O4 | Isoimperatorin | 270.09 | 1.5296 | 2.78 | 2.891 | 1 | 0 | 48.67 | 5 | 3 | 20 | 0 |
| TCMC1396 | C16H10N2O2 | Isoindigo | 262.07 | -0.0866 | 2.78 | 4.42 | 4 | 2 | 65.18 | 2 | 4 | 20 | 0 |
| TCMC1608 | C10H16 | Myrcene | 136.13 | 3.0936 | 2.56 | 4.17 | 0 | 0 | 0 | 6 | 0 | 10 | 0 |
| TCMC1764 | C21H22O5 | Notopterol | 354.15 | 1.9955 | 3.22 | 3.105 | 2 | 1 | 68.9 | 10 | 3 | 26 | 0 |
| TCMC1802 | C14H14O3 | Osthenol | 230.09 | 1.6871 | 2.67 | 3.002 | 1 | 1 | 46.53 | 5 | 2 | 17 | 0 |
| TCMC1803 | C15H16O3 | Osthole | 244.11 | 2.0956 | 2.78 | 3.521 | 1 | 0 | 35.53 | 6 | 2 | 18 | 0 |
| TCMC1858 | C16H14O4 | Pentosalen | 270.09 | 1.5296 | 2.78 | 2.891 | 1 | 0 | 48.67 | 5 | 3 | 20 | 0 |
| TCMC1866 | C17H16O5 | Phellopterin | 300.1 | 1.4778 | 2.78 | 2.447 | 1 | 0 | 57.9 | 7 | 3 | 22 | 0 |
Showing 1 to 10 of 58 entries
Download Data
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