Component ID |
TCMH2491 |
Latin Name |
Alpinia oxyphylla |
English Name |
Sharpleaf galangal |
Chinese Pinyin Name |
Yi Zhi Ren |
中文名 |
益智仁 |
TCM Properties |
Warm,Pungent |
TCM Meridians |
Spleen,Kidney |
Therapeutic Class English |
For tonifying weakness |
Therapeutic Class Chinese |
补虚 |
Functions |
warm and tonify the spleen and kidneys, prevent emissions and stop diarrhea |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAJ4276-14 |
Barcode Source |
BOLDSYSTEMS |
Prescription ID | Prescription English Name | Prescription Chinese Name |
---|---|---|
TCMF1970 | Kid Urine Recipe | 小儿遗尿方 |
TCMF2104 | Turbid Control and Base Stablizing Bolus | 治浊固本丸 |
TCMF2207 | Pill for Controlling Fluid | 巩堤丸 |
TCMF2300 | Brain Strengthening Decoction | 健脑安神 |
TCMF2458 | SQSJ Blood Tonification Decoction | |
TCMF263 | Tian Zi Hong Nü Jin Capsule | 天紫红女金胶囊 |
TCMF640 | Gu Shen Ding Chuan Pills | 固肾定喘丸 |
TCMF7337 | Zhi Zhuo Gu Ben Pills | 治浊固本丸 |
TCMFx1138 | Suo Quan Pills | 缩泉丸 |
TCMFx1139 | Suo Quan Capsule | 缩泉胶囊 |
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 |
TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
TCMT126 | TERT | Telomerase reverse transcriptase | Transferase | O14746 |
TCMT130 | ALOX5 | Arachidonate 5-lipoxygenase | Oxidoreductase | P09917 |
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 |
Target ID | Target Name |
---|---|
TCMT1090 | Human immunodeficiency virus type 1 integrase |
TCMT1094 | 3-oxoacyl-acyl-carrier protein reductase |
TCMT1099 | Neuraminidase |
TCMT1104 | Sortase |
TCMT1178 | Actinomyces viscosus |
TCMT1181 | Mycobacterium tuberculosis H37Ra |
TCMT1218 | Staphylococcus aureus |
TCMT1246 | Escherichia coli |
TCMT1251 | Candida albicans |
TCMT1253 | Penicillium chrysogenum |
Ingredient ID: TCMC995
Formula: C35H60O6
Common Name | Daucosterol |
IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
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@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C |
Standard InCHI | InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1 |
Standard InCHIKey | NPJICTMALKLTFW-OFUAXYCQSA-N |
External Identifiers | ChEMBL [CHEMBL506678]; PubChem [5742590]; |
Reference of Component-Ingredient Pair | 16261518 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1036 | Spatholobus suberectus | Ji Xue Teng | 鸡血藤 |
TCMH1037 | Spatholobus suberectus | Ji Xue Teng Gan Gao | 鸡血藤干膏 |
TCMH1038 | Spatholobus suberectus | Ji Xue Teng Gao | 鸡血藤膏 |
TCMH1078 | Fructus gardeniae preparata | Jiao Shan Zhi | 焦山栀 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
Ingredient ID: TCMC908
Formula: C15H10O4
Common Name | Chrysin |
IUPAC Name | 5,7-dihydroxy-2-phenylchromen-4-one |
Canonical SMILES | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1 |
Standard InCHI | InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H |
Standard InCHIKey | RTIXKCRFFJGDFG-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL117]; PubChem [5281607]; |
Reference of Component-Ingredient Pair | 29162470 |
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 |
TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
TCMH1823 | Alpinia zerumbet | Shan Jiang | 山姜 |
TCMH2071 | Prunus persica | Tao | 桃 |
Ingredient ID: TCMC801
Formula: C29H50O
Common Name | Beta-Sitosterol |
IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
Canonical SMILES | CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C |
Standard InCHI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
Standard InCHIKey | KZJWDPNRJALLNS-VJSFXXLFSA-N |
External Identifiers | ChEMBL [CHEMBL221542]; PubChem [222284]; |
Reference of Component-Ingredient Pair | 24130033 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
TCMH1017 | Oxytropis myriophylla | Ji Dou | 棘豆 |
TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
Ingredient ID: TCMC671
Formula: C10H16
Common Name | Alpha-Pinene |
IUPAC Name | 4,6,6-trimethylbicyclo[3.1.1]hept-3-ene |
Canonical SMILES | CC1=CCC2CC1C2(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 |
Standard InCHIKey | GRWFGVWFFZKLTI-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL442565]; PubChem [6654]; |
Reference of Component-Ingredient Pair | 29191726 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
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 |
TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
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 |
Ingredient ID: TCMC2491
Formula: C3H6O2
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 |
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 |
Ingredient ID: TCMC2487
Formula: C15H22O2
Common Name | Ligucyperonol |
IUPAC Name | (4R,4aR,7R)-4-hydroxy-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one |
Canonical SMILES | CC(=C)[C@@H]1CC[C@@]2(C(=C(C)C(=O)C[C@H]2O)C1)C |
Standard InCHI | InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h11,14,17H,1,5-8H2,2-4H3/t11-,14-,15-/m1/s1 |
Standard InCHIKey | MROVETGJOLYNJI-KCPJHIHWSA-N |
External Identifiers | ChEMBL [CHEMBL462897]; PubChem [14681770]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC2484
Formula: C10H18O
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 |
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 |
Ingredient ID: TCMC2472
Formula: C20H30O2
Common Name | Labda-8(17),12-Diene-15,16-Dial |
IUPAC Name | (2E)-2-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]butanedial |
Canonical SMILES | O=CC/C(=CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCCC2(C)C)/C=O |
Standard InCHI | InChI=1S/C20H30O2/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16(14-22)10-13-21/h7,13-14,17-18H,1,5-6,8-12H2,2-4H3/b16-7+/t17-,18-,20+/m0/s1 |
Standard InCHIKey | TZCSIFOYBLPUIF-OQONWLFBSA-N |
External Identifiers | ChEMBL [CHEMBL112830]; PubChem [11077520]; |
Reference of Component-Ingredient Pair | US2014350100 |
Ingredient ID: TCMC2366
Formula: C15H24O
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | C=C1CC[C@@H]2O[C@@]2(CC[C@@H]2[C@@H]1CC2(C)C)C |
Standard InCHI | InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15-/m1/s1 |
Standard InCHIKey | NVEQFIOZRFFVFW-GUIRCDHDSA-N |
External Identifiers | ChEMBL [CHEMBL399036]; PubChem [1742211]; |
Reference of Component-Ingredient Pair | N/A |
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 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
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 |
TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
Ingredient ID: TCMC2257
Formula: C16H12O6
Common Name | Rhamnocitrin |
IUPAC Name | 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
Canonical SMILES | COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(cc1)O |
Standard InCHI | InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3 |
Standard InCHIKey | MQSZRBPYXNEFHF-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL442289]; PubChem [5320946]; |
Reference of Component-Ingredient Pair | 24685503 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1697 | Iris tectorum | Qing Wa Qi | 青蛙七 |
TCMH1810 | Semen astragali complanati | Sha Yuan Ji Li | 沙苑蒺藜 |
TCMH1811 | Semen astragali complanati | Sha Yuan Zi | 沙苑子 |
TCMH1846 | Artemisia capillaris | Shan Yin Chen | 山茵陈 |
TCMH1870 | Belamcanda chinensis | She Gan | 射干 |
TCMH1930 | Umbilicaria esculenta | Shi Er | 石耳 |
TCMH2121 | Semen astragali complanati | Tong Ji Li | 潼蒺藜 |
Ingredient ID: TCMC2138
Formula: C16H12O4
Common Name | Techtochrysin |
IUPAC Name | 5-hydroxy-7-methoxy-2-phenylchromen-4-one |
Canonical SMILES | COc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1 |
Standard InCHI | InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3 |
Standard InCHIKey | IRZVHDLBAYNPCT-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL164841]; PubChem [5281954]; |
Reference of Component-Ingredient Pair | 21416454 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH109 | Pulsatilla chinensis | Bai Tou Weng | 白头翁 |
TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
TCMH1823 | Alpinia zerumbet | Shan Jiang | 山姜 |
TCMH2148 | Cuscuta australis | Tu Si Rou | 菟丝肉 |
TCMH2149 | Cuscuta australis | Tu Si Zi | 菟丝子 |
TCMH2150 | Cuscuta australis | Tu Si Zi Teng | 菟丝子藤 |
TCMH2488 | Alpinia oxyphylla | Yi Zhi | 益智 |
TCMH2491 | Alpinia oxyphylla | Yi Zhi Ren | 益智仁 |
Ingredient ID: TCMC1956
Formula: C7H6O4
Common Name | Protocatechuic Acid |
IUPAC Name | 3,4-dihydroxybenzoic acid |
Canonical SMILES | OC(=O)c1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) |
Standard InCHIKey | YQUVCSBJEUQKSH-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL37537]; PubChem [72]; |
Reference of Component-Ingredient Pair | 24685503 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH10 | Blumea balsamifera | Ai Pian | 艾片 |
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH11 | Blumea balsamifera | Ai Tan | 艾炭 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
Ingredient ID: TCMC1898
Formula: C15H12O4
Common Name | Pinocembrin |
IUPAC Name | (2S)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one |
Canonical SMILES | Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccccc1 |
Standard InCHI | InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1 |
Standard InCHIKey | URFCJEUYXNAHFI-ZDUSSCGKSA-N |
External Identifiers | ChEMBL [CHEMBL399910]; PubChem [68071]; |
Reference of Component-Ingredient Pair | 16133333 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
TCMH109 | Pulsatilla chinensis | Bai Tou Weng | 白头翁 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH128 | Castanea mollissima | Ban Li Ke | 板栗壳 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
TCMH1462 | Moschus moschiferus | Mao She Xiang | 毛麝香 |
TCMH1463 | Moschus moschiferus | Mao She Xiang Jin Gao | 毛麝香浸膏 |
TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
Ingredient ID: TCMC1832
Formula: C16H30O2
Common Name | Palmitoleic Acid |
IUPAC Name | (Z)-hexadec-9-enoic acid |
Canonical SMILES | CCCCCC/C=CCCCCCCCC(=O)O |
Standard InCHI | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7- |
Standard InCHIKey | SECPZKHBENQXJG-FPLPWBNLSA-N |
External Identifiers | ChEMBL [CHEMBL453509]; PubChem [445638]; |
Reference of Component-Ingredient Pair | 29968805 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
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 |
TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
TCMH1239 | Raphanus sativus | Lai Fu | 莱菔 |
TCMH1240 | Raphanus sativus | Lai Fu Zi | 莱菔子 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
Ingredient ID: TCMC1821
Formula: C14H12O4
Common Name | Oxyresveratrol |
IUPAC Name | 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol |
Canonical SMILES | Oc1ccc(c(c1)O)/C=C/c1cc(O)cc(c1)O |
Standard InCHI | InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+ |
Standard InCHIKey | PDHAOJSHSJQANO-OWOJBTEDSA-N |
External Identifiers | ChEMBL [CHEMBL43065]; PubChem [5281717]; |
Reference of Component-Ingredient Pair | 24374442 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1792 | Morus alba | Sang Pi | 桑皮 |
TCMH1797 | Morus alba | Sang Ye | 桑叶 |
TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
TCMH2134 | Smilax glabra | Tu Fu Ling | 土茯苓 |
TCMH2488 | Alpinia oxyphylla | Yi Zhi | 益智 |
TCMH2491 | Alpinia oxyphylla | Yi Zhi Ren | 益智仁 |
TCMH37 | Smilax china | Ba Qia | 菝葜 |
Ingredient ID: TCMC1788
Formula: C18H34O2
Common Name | Oleic Acid |
IUPAC Name | (Z)-octadec-9-enoic acid |
Canonical SMILES | CCCCCCCC/C=CCCCCCCCC(=O)O |
Standard InCHI | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- |
Standard InCHIKey | ZQPPMHVWECSIRJ-KTKRTIGZSA-N |
External Identifiers | ChEMBL [CHEMBL8659]; PubChem [445639]; |
Reference of Component-Ingredient Pair | 29968805 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
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 |
TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
Ingredient ID: TCMC1752
Formula: C15H22O
Common Name | Nootkatone |
IUPAC Name | (4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one |
Canonical SMILES | O=C1C[C@@H](C)[C@]2(C(=C1)CC[C@H](C2)C(=C)C)C |
Standard InCHI | InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1 |
Standard InCHIKey | WTOYNNBCKUYIKC-JMSVASOKSA-N |
External Identifiers | ChEMBL [CHEMBL446299]; PubChem [1268142]; |
Reference of Component-Ingredient Pair | 21941921 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1393 | Verbena officinalis | Ma Bian Cao | 马鞭草 |
TCMH1823 | Alpinia zerumbet | Shan Jiang | 山姜 |
TCMH2144 | Inula helenium | Tu Mu Xiang | 土木香 |
TCMH2265 | Cyperus rotundus | Xiang Fu | 香附 |
TCMH2281 | Citrus medica | Xiang Yuan | 香橼 |
TCMH2282 | Citrus medica | Xiang Yuan Pi | 香橼皮 |
TCMH2488 | Alpinia oxyphylla | Yi Zhi | 益智 |
TCMH2491 | Alpinia oxyphylla | Yi Zhi Ren | 益智仁 |
Ingredient ID: TCMC1741
Formula: C6H5NO2
Common Name | Niacin |
IUPAC Name | pyridine-3-carboxylic acid |
Canonical SMILES | OC(=O)c1cccnc1 |
Standard InCHI | InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) |
Standard InCHIKey | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL573]; PubChem [938]; |
Reference of Component-Ingredient Pair | 28437613 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
TCMH1195 | Oleum aurantii | Ju Zi Xiang Jing | 橘子香精 |
TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
TCMH1263 | Cyprinus carpio | Li Yu | 鲤鱼 |
TCMH1316 | Dens draconis | Long Chi | 龙齿 |
TCMH1381 | Folium camelliae sinensis | Lv Cha | 绿茶 |
TCMH1420 | Oleum sesami | Ma You | 麻油 |
TCMH1430 | Hordeum vulgare | Mai Ya | 麦芽 |
Ingredient ID: TCMC1712
Formula: C15H24O
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | C=C1CC[C@@H]2O[C@@]2(CC[C@@H]2[C@H]1CC2(C)C)C |
Standard InCHI | InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,15+/m0/s1 |
Standard InCHIKey | NVEQFIOZRFFVFW-SFDCQRBFSA-N |
External Identifiers | ChEMBL [CHEMBL1513806]; PubChem [6604672]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
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 |
TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
Ingredient ID: TCMC1496
Formula: C18H30O2
Common Name | Linolenic Acid |
IUPAC Name | (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid |
Canonical SMILES | CC/C=CC/C=CC/C=CCCCCCCCC(=O)O |
Standard InCHI | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9- |
Standard InCHIKey | DTOSIQBPPRVQHS-PDBXOOCHSA-N |
External Identifiers | ChEMBL [CHEMBL8739]; PubChem [5280934]; |
Reference of Component-Ingredient Pair | 29968805 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
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 |
TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
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 |
Ingredient ID: TCMC1495
Formula: C18H32O2
Common Name | Linoleic Acid |
IUPAC Name | (9Z,12Z)-octadeca-9,12-dienoic acid |
Canonical SMILES | CCCCC/C=CC/C=CCCCCCCCC(=O)O |
Standard InCHI | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- |
Standard InCHIKey | OYHQOLUKZRVURQ-HZJYTTRNSA-N |
External Identifiers | ChEMBL [CHEMBL267476]; PubChem [5280450]; |
Reference of Component-Ingredient Pair | 29968805 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
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 |
TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
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 |
TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
Ingredient ID: TCMC1493
Formula: C10H18O
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 |
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 |
Ingredient ID: TCMC1492
Formula: C10H18O
Common Name | Linalool |
IUPAC Name | 3,7-dimethylocta-1,6-dien-3-ol |
Canonical SMILES | C=CC(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 |
Standard InCHIKey | CDOSHBSSFJOMGT-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL25306]; PubChem [6549]; |
Reference of Component-Ingredient Pair | 29029310 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
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 |
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 |
Ingredient ID: TCMC1428
Formula: C16H12O6
Common Name | Kaempferide |
IUPAC Name | 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one |
Canonical SMILES | COc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O |
Standard InCHI | InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3 |
Standard InCHIKey | SQFSKOYWJBQGKQ-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL40919]; PubChem [5281666]; |
Reference of Component-Ingredient Pair | 22279375 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
TCMH1277 | Alpinia officinarum | Liang Jiang | 良姜 |
TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
TCMH1804 | Amomum villosum | Sha Ren Ye | 砂仁叶 |
TCMH1823 | Alpinia zerumbet | Shan Jiang | 山姜 |
TCMH1835 | Kaempferia galanga | Shan Nai | 山柰 |
TCMH2225 | Cacumen tamaricis | Xi He Liu | 西河柳 |
TCMH2488 | Alpinia oxyphylla | Yi Zhi | 益智 |
Ingredient ID: TCMC1417
Formula: C8H8O3
Common Name | Isovanillin |
IUPAC Name | 3-hydroxy-4-methoxybenzaldehyde |
Canonical SMILES | O=Cc1ccc(c(c1)O)OC |
Standard InCHI | InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3 |
Standard InCHIKey | JVTZFYYHCGSXJV-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL275563]; PubChem [12127]; |
Reference of Component-Ingredient Pair | 22260042 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
TCMH2267 | Periploca sepium | Xiang Jia Pi | 香加皮 |
TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
TCMH2488 | Alpinia oxyphylla | Yi Zhi | 益智 |
TCMH2491 | Alpinia oxyphylla | Yi Zhi Ren | 益智仁 |
TCMH2513 | Rhododendron mucronulatum | Ying Shan Hong | 映山红 |
TCMH270 | Clerodendrum trichotomum | Chou Wu Tong | 臭梧桐 |
Ingredient ID: TCMC1364
Formula: C20H30O2
Common Name | Icosapent |
IUPAC Name | (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid |
Canonical SMILES | CC/C=CC/C=CC/C=CC/C=CC/C=CCCCC(=O)O |
Standard InCHI | InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15- |
Standard InCHIKey | JAZBEHYOTPTENJ-JLNKQSITSA-N |
External Identifiers | ChEMBL [CHEMBL460026]; PubChem [446284]; |
Reference of Component-Ingredient Pair | 11341955 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
TCMH2488 | Alpinia oxyphylla | Yi Zhi | 益智 |
TCMH2491 | Alpinia oxyphylla | Yi Zhi Ren | 益智仁 |
TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Ingredient ID: TCMC1157
Formula: C10H18O
Common Name | Eucalyptol |
IUPAC Name | 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane |
Canonical SMILES | CC12CCC(CC1)C(O2)(C)C |
Standard InCHI | InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3 |
Standard InCHIKey | WEEGYLXZBRQIMU-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL485259]; PubChem [2758]; |
Reference of Component-Ingredient Pair | 26795242 |
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 |
TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
TCMH1277 | Alpinia officinarum | Liang Jiang | 良姜 |
TCMH1290 | Ocimum basilicum | Ling Ling Xiang | 零陵香 |
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC1157 | C10H18O | Eucalyptol | 154.14 | 1.3109 | 2.45 | 2.595 | 1 | 0 | 9.23 | 3 | 0 | 11 | 0 |
TCMC1364 | C20H30O2 | Icosapent | 302.22 | 2.1145 | 3.44 | 8.022 | 2 | 1 | 37.3 | 15 | 0 | 22 | 2 |
TCMC1417 | C8H8O3 | Isovanillin | 152.05 | -0.7045 | 2.01 | 1.04 | 1 | 1 | 46.53 | 4 | 1 | 11 | 0 |
TCMC1428 | C16H12O6 | Kaempferide | 300.06 | -1.9324 | 2.56 | 2.434 | 2 | 3 | 96.22 | 6 | 3 | 22 | 0 |
TCMC1492 | C10H18O | Linalool | 154.14 | 2.4692 | 2.45 | 2.468 | 1 | 1 | 20.23 | 8 | 0 | 11 | 0 |
TCMC1493 | C10H18O | Linalool (+) | 154.14 | 2.4692 | 2.45 | 2.468 | 1 | 1 | 20.23 | 8 | 0 | 11 | 0 |
TCMC1495 | C18H32O2 | Linoleic Acid | 280.24 | -0.9485 | 3.22 | 7.865 | 2 | 1 | 37.3 | 16 | 0 | 20 | 2 |
TCMC1496 | C18H30O2 | Linolenic Acid | 278.22 | -0.0979 | 3.22 | 7.538 | 2 | 1 | 37.3 | 15 | 0 | 20 | 2 |
TCMC1712 | C15H24O | 220.18 | 1.9144 | 3 | 4.607 | 1 | 0 | 12.53 | 3 | 3 | 16 | 0 | |
TCMC1741 | C6H5NO2 | Niacin | 123.03 | -0.2398 | 1.79 | 0.637 | 3 | 1 | 50.19 | 2 | 1 | 9 | 0 |