Component ID |
TCMH511 |
Latin Name |
Litsea cubeba |
English Name |
Folium litseae cubebae |
Chinese Pinyin Name |
Dou Chi Jiang |
中文名 |
豆豉姜 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
GBVG4364-11, GBVG4358-11 |
Barcode Source |
BOLDSYSTEMS |
Prescription ID | Prescription English Name | Prescription Chinese Name |
---|---|---|
TCMF3068 | Bu Xue Tiao Jing Tablets | 补血调经片 |
TCMF4414 | Ke Tong Ding | 克痛酊 |
TCMFx397 | Zheng Gu Shui | 正骨水 |
TCMFx4961 | Jin Ju Gan Mao Tablets | 金菊感冒片 |
TCMFx7099 | Huo Luo Zhi Tong Pills | 活络止痛丸 |
TCMFx727 | Zhen Zhu Wei An Pills | 珍珠胃安丸 |
TCMFx9 | Yun Xiang Qu Feng Zhi Tong Tincture | 云香祛风止痛酊 |
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 |
TCMT113 | OPRD1 | Delta opioid receptor | GPCR | P41143 |
TCMT116 | OPRM1 | Mu opioid receptor | GPCR | P35372 |
TCMT117 | OPRK1 | Kappa opioid receptor | GPCR | P41145 |
TCMT150 | RORC | Nuclear receptor ROR-gamma | Nuclear receptor | P51449 |
TCMT158 | EPHX2 | Epoxide hydratase | Lyase | P34913 |
TCMT160 | HTR7 | Serotonin 7 (5-HT7) receptor | GPCR | P34969 |
TCMT162 | UGT1A1 | UDP-glucuronosyltransferase 1-1 | Transferase | P22309 |
TCMT187 | AR | Androgen Receptor | Nuclear receptor | P10275 |
Target ID | Target Name |
---|---|
TCMT1218 | Staphylococcus aureus |
TCMT1233 | Helminthosporium |
TCMT1243 | Aspergillus flavus |
TCMT1246 | Escherichia coli |
TCMT1251 | Candida albicans |
TCMT1253 | Penicillium chrysogenum |
TCMT1306 | Aspergillus sp. |
TCMT1308 | Trichoderma |
TCMT1352 | Colletotrichum truncatum |
TCMT1392 | Fusarium oxysporum f. sp. niveum |
Ingredient ID: TCMC924
Formula: C10H20O
Common Name | Citronellol |
IUPAC Name | 3,7-dimethyloct-6-en-1-ol |
Canonical SMILES | OCCC(CCC=C(C)C)C |
Standard InCHI | InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3 |
Standard InCHIKey | QMVPMAAFGQKVCJ-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL395827]; PubChem [8842]; |
Reference of Component-Ingredient Pair | 27607409 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
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 |
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 |
TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
Ingredient ID: TCMC922
Formula: C10H16O
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 |
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 |
Ingredient ID: TCMC868
Formula: C9H9N3O2
Common Name | Carbendazim |
IUPAC Name | methyl N-(1H-benzimidazol-2-yl)carbamate |
Canonical SMILES | COC(=Nc1nc2c([nH]1)cccc2)O |
Standard InCHI | InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13) |
Standard InCHIKey | TWFZGCMQGLPBSX-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL70971]; PubChem [25429]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC857
Formula: C10H16O
Common Name | Camphor |
IUPAC Name | (1R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one |
Canonical SMILES | O=C1C[C@@H]2C([C@@]1(C)CC2)(C)C |
Standard InCHI | InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1 |
Standard InCHIKey | DSSYKIVIOFKYAU-XCBNKYQSSA-N |
External Identifiers | ChEMBL [CHEMBL504760]; PubChem [159055]; |
Reference of Component-Ingredient Pair | 21162008 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
Ingredient ID: TCMC821
Formula: C19H21NO4
Common Name | Boldine |
IUPAC Name | (6aS)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol |
Canonical SMILES | COc1cc2c(cc1O)C[C@H]1c3c2c(OC)c(O)cc3CCN1C |
Standard InCHI | InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1 |
Standard InCHIKey | LZJRNLRASBVRRX-ZDUSSCGKSA-N |
External Identifiers | ChEMBL [CHEMBL388342]; PubChem [10154]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC7
Formula: C20H20O6
Common Name | (-)-Cubebin |
IUPAC Name | (2S,3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-ol |
Canonical SMILES | O[C@H]1OC[C@@H]([C@H]1Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2 |
Standard InCHI | InChI=1S/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2/t14-,15+,20-/m0/s1 |
Standard InCHIKey | DIYWRNLYKJKHAM-MDOVXXIYSA-N |
External Identifiers | ChEMBL [CHEMBL399831]; PubChem [117443]; |
Reference of Component-Ingredient Pair | 20440625 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH160 | Piper cubeba | Bi Cheng Qie | 毕澄茄 |
TCMH1812 | Litsea cubeba | Shan Cang Zi | 山苍子 |
TCMH1825 | Litsea cubeba | Shan Jiang Zi | 山姜子 |
TCMH511 | Litsea cubeba | Dou Chi Jiang | 豆豉姜 |
TCMH64 | Piper nigrum | Bai Hu Jiao | 白胡椒 |
TCMH839 | Piper nigrum | Hei Hu Jiao | 黑胡椒 |
TCMH907 | Piper nigrum | Hu Jiao | 胡椒 |
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: TCMC58
Formula: C10H16O2
Common Name | (2E)-3,7-Dimethylocta-2,6-Dienoic Acid |
IUPAC Name | (2E)-3,7-dimethylocta-2,6-dienoic acid |
Canonical SMILES | CC(=CCC/C(=C/C(=O)O)/C)C |
Standard InCHI | InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+ |
Standard InCHIKey | ZHYZQXUYZJNEHD-VQHVLOKHSA-N |
External Identifiers | ChEMBL [CHEMBL170190]; PubChem [5275520]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH160 | Piper cubeba | Bi Cheng Qie | 毕澄茄 |
TCMH1812 | Litsea cubeba | Shan Cang Zi | 山苍子 |
TCMH1825 | Litsea cubeba | Shan Jiang Zi | 山姜子 |
TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
TCMH511 | Litsea cubeba | Dou Chi Jiang | 豆豉姜 |
TCMH859 | Ormosia hosiei | Hong Dou | 红豆 |
Ingredient ID: TCMC473
Formula: C10H16O
Common Name | 4,7,7-Trimethylbicyclo[2.2.1]Heptan-3-One |
IUPAC Name | 4,7,7-trimethylbicyclo[2.2.1]heptan-3-one |
Canonical SMILES | O=C1CC2C(C1(C)CC2)(C)C |
Standard InCHI | InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3 |
Standard InCHIKey | DSSYKIVIOFKYAU-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL15768]; PubChem [2537]; |
Reference of Component-Ingredient Pair | 25636489 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1393 | Verbena officinalis | Ma Bian Cao | 马鞭草 |
Ingredient ID: TCMC304
Formula: C10H18O
Common Name | 2-(4-Methylcyclohex-3-En-1-Yl)Propan-2-Ol |
IUPAC Name | 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol |
Canonical SMILES | CC1=CCC(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 |
Standard InCHIKey | WUOACPNHFRMFPN-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL449810]; PubChem [17100]; |
Reference of Component-Ingredient Pair | 26795242 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
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 |
TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
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: TCMC284
Formula: C10H16
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 |
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 |
Ingredient ID: TCMC2822
Formula: C15H24
Common Name | Alpha-Humulone |
IUPAC Name | (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene |
Canonical SMILES | C/C/1=CCC(C)(C)/C=C/C/C(=C/CC1)/C |
Standard InCHI | InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+ |
Standard InCHIKey | FAMPSKZZVDUYOS-HRGUGZIWSA-N |
External Identifiers | ChEMBL [CHEMBL251280]; PubChem [5281520]; |
Reference of Component-Ingredient Pair | 29248443 |
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 |
TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
Ingredient ID: TCMC2815
Formula: C15H24
Common Name | Caryophyllene |
IUPAC Name | (1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene |
Canonical SMILES | C/C/1=C/CCC(=C)[C@@H]2[C@@H](CC1)C(C2)(C)C |
Standard InCHI | InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1 |
Standard InCHIKey | NPNUFJAVOOONJE-FLFDDASRSA-N |
External Identifiers | ChEMBL [CHEMBL448700]; PubChem [5281522]; |
Reference of Component-Ingredient Pair | 26424685 |
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 |
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 |
Ingredient ID: TCMC2697
Formula: C10H16O3
Common Name | (6R)-3,7-Dimethyl-7-Hydroxy-2-Octen-6-Olide |
IUPAC Name | (2R)-2-(2-hydroxypropan-2-yl)-5-methyl-3,4-dihydro-2H-oxepin-7-one |
Canonical SMILES | CC1=CC(=O)O[C@H](CC1)C(O)(C)C |
Standard InCHI | InChI=1S/C10H16O3/c1-7-4-5-8(10(2,3)12)13-9(11)6-7/h6,8,12H,4-5H2,1-3H3/t8-/m1/s1 |
Standard InCHIKey | ICSVRXLISHBJRU-MRVPVSSYSA-N |
External Identifiers | ChEMBL [CHEMBL2271745]; PubChem [76319759]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC2576
Formula: C18H19NO4
Common Name | Norboldine |
IUPAC Name | (6aS)-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol |
Canonical SMILES | COc1cc2c(cc1O)C[C@H]1c3c2c(OC)c(O)cc3CCN1 |
Standard InCHI | InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1 |
Standard InCHIKey | KYVJVURXKAZJRK-LBPRGKRZSA-N |
External Identifiers | ChEMBL [CHEMBL487388]; PubChem [22179]; |
Reference of Component-Ingredient Pair | 12237535 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1812 | Litsea cubeba | Shan Cang Zi | 山苍子 |
TCMH1825 | Litsea cubeba | Shan Jiang Zi | 山姜子 |
TCMH2101 | Eupatorium rebaudianum | Tian Ye Ju | 甜叶菊 |
TCMH2208 | Lindera strychnifolia | Wu Yao | 乌药 |
TCMH2209 | Lindera strychnifolia | Wu Yao Gan Jin Gao | 乌药干浸膏 |
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 |
Ingredient ID: TCMC2550
Formula: C15H24
Common Name | (+)-Germacrene D |
IUPAC Name | (1E,6E,8R)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene |
Canonical SMILES | C/C/1=CCCC(=C)/C=C/[C@H](CC1)C(C)C |
Standard InCHI | InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7+/t15-/m1/s1 |
Standard InCHIKey | GAIBLDCXCZKKJE-RGZOGPIRSA-N |
External Identifiers | ChEMBL [CHEMBL1836650]; PubChem [24771782]; |
Reference of Component-Ingredient Pair | N/A |
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 |
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 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
Ingredient ID: TCMC2541
Formula: C10H18O
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 |
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 |
Ingredient ID: TCMC2539
Formula: C10H16
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 |
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 |
Ingredient ID: TCMC2506
Formula: C19H21NO4
Common Name | (+)-Norisocorydine |
IUPAC Name | (6aS)-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-11-ol |
Canonical SMILES | COc1ccc2c(c1O)c1c(OC)c(OC)cc3c1[C@H](C2)NCC3 |
Standard InCHI | InChI=1S/C19H21NO4/c1-22-13-5-4-10-8-12-15-11(6-7-20-12)9-14(23-2)19(24-3)17(15)16(10)18(13)21/h4-5,9,12,20-21H,6-8H2,1-3H3/t12-/m0/s1 |
Standard InCHIKey | OHDQLTAYHMLRBA-LBPRGKRZSA-N |
External Identifiers | ChEMBL [CHEMBL465212]; PubChem [12313549]; |
Reference of Component-Ingredient Pair | 25993795 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
TCMH1812 | Litsea cubeba | Shan Cang Zi | 山苍子 |
TCMH1825 | Litsea cubeba | Shan Jiang Zi | 山姜子 |
TCMH2101 | Eupatorium rebaudianum | Tian Ye Ju | 甜叶菊 |
TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
TCMH2330 | Coptis chinensis | Xiong Huang Lian | 雄黄连 |
TCMH2513 | Rhododendron mucronulatum | Ying Shan Hong | 映山红 |
TCMH2531 | Coptis chinensis | Yu Huang Lian | 萸黄连 |
TCMH2580 | Coptis chinensis | Ze Xi Huang Lian | 择细黄连 |
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: TCMC2383
Formula: C20H23NO4
Common Name | Magnoflorine |
IUPAC Name | (6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium-1,11-diol |
Canonical SMILES | COc1ccc2c(c1O)c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3 |
Standard InCHI | InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1 |
Standard InCHIKey | YLRXAIKMLINXQY-ZDUSSCGKSA-O |
External Identifiers | ChEMBL [CHEMBL235428]; PubChem [73337]; |
Reference of Component-Ingredient Pair | 24709313 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
TCMH1102 | Tinospora capillipes | Jin Guo Lan | 金果榄 |
TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
TCMH1397 | Aristolochia debilis | Ma Dou Ling | 马兜铃 |
TCMH140 | Menispermum dauricum | Bei Dou Gen | 北豆根 |
TCMH1416 | Thalictrum foliolosum | Ma Wei Lian | 马尾连 |
TCMH1516 | Cocculus trilobus | Mu Fang Ji | 木防己 |
TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
TCMH1693 | Aristolochia debilis | Qing Mu Xiang | 青木香 |
TCMH1764 | Cortex berberidis | San Ke Zhen | 三棵针 |
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: TCMC2324
Formula: C10H16
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 |
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 |
Ingredient ID: TCMC2317
Formula: C19H21NO4
Common Name | Laurotetanine |
IUPAC Name | (6aS)-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-9-ol |
Canonical SMILES | COc1c(OC)cc2c3c1c1cc(OC)c(cc1C[C@@H]3NCC2)O |
Standard InCHI | InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1 |
Standard InCHIKey | GVVXPMORGFYVOO-ZDUSSCGKSA-N |
External Identifiers | ChEMBL [CHEMBL464098]; PubChem [31415]; |
Reference of Component-Ingredient Pair | 29454020 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1812 | Litsea cubeba | Shan Cang Zi | 山苍子 |
TCMH1825 | Litsea cubeba | Shan Jiang Zi | 山姜子 |
TCMH2101 | Eupatorium rebaudianum | Tian Ye Ju | 甜叶菊 |
TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
TCMH2513 | Rhododendron mucronulatum | Ying Shan Hong | 映山红 |
TCMH270 | Clerodendrum trichotomum | Chou Wu Tong | 臭梧桐 |
TCMH271 | Clerodendrum trichotomum | Chou Wu Tong Ye | 臭梧桐叶 |
TCMH511 | Litsea cubeba | Dou Chi Jiang | 豆豉姜 |
TCMH600 | Euonymus fortunei | Fu Fang Teng | 扶芳藤 |
Ingredient ID: TCMC2222
Formula: C8H8O4
Common Name | Vanillic Acid |
IUPAC Name | 4-hydroxy-3-methoxybenzoic acid |
Canonical SMILES | COc1cc(ccc1O)C(=O)O |
Standard InCHI | InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) |
Standard InCHIKey | WKOLLVMJNQIZCI-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL120568]; PubChem [8468]; |
Reference of Component-Ingredient Pair | 23800587 |
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 |
TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
Ingredient ID: TCMC2120
Formula: C17H24O9
Common Name | Syringin |
IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol |
Canonical SMILES | OC/C=C/c1cc(OC)c(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
Standard InCHI | InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1 |
Standard InCHIKey | QJVXKWHHAMZTBY-GCPOEHJPSA-N |
External Identifiers | ChEMBL [CHEMBL250872]; PubChem [5316860]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH1154 | Ilex rotunda | Jiu Bi Ying | 救必应 |
TCMH138 | Syringa reticulata | Bao Ma Zi Pi | 暴马子皮 |
TCMH1452 | Gerbera piloselloides | Mao Da Ding Cao | 毛大丁草 |
TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
TCMH160 | Piper cubeba | Bi Cheng Qie | 毕澄茄 |
TCMH1656 | Angelica decursiva | Qian Hu | 前胡 |
Ingredient ID: TCMC2035
Formula: C10H10O2
Common Name | Safrole |
IUPAC Name | 5-prop-2-enyl-1,3-benzodioxole |
Canonical SMILES | C=CCc1ccc2c(c1)OCO2 |
Standard InCHI | InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2 |
Standard InCHIKey | ZMQAAUBTXCXRIC-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL242273]; PubChem [5144]; |
Reference of Component-Ingredient Pair | 25058030 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH1290 | Ocimum basilicum | Ling Ling Xiang | 零陵香 |
TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
TCMH1374 | Ocimum basilicum | Luo Le | 罗勒 |
TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
TCMH1551 | Asarum forbesii | Nan Xi Xin | 南细辛 |
TCMH160 | Piper cubeba | Bi Cheng Qie | 毕澄茄 |
Ingredient ID: TCMC1748
Formula: C20H23NO4
Common Name | N-Methyllaurotetanine |
IUPAC Name | (6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-9-ol |
Canonical SMILES | COc1c(OC)cc2c3c1c1cc(OC)c(cc1C[C@@H]3N(CC2)C)O |
Standard InCHI | InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1 |
Standard InCHIKey | ZFLRVRLYWHNAEC-AWEZNQCLSA-N |
External Identifiers | ChEMBL [CHEMBL464099]; PubChem [16573]; |
Reference of Component-Ingredient Pair | 25695425 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1812 | Litsea cubeba | Shan Cang Zi | 山苍子 |
TCMH1825 | Litsea cubeba | Shan Jiang Zi | 山姜子 |
TCMH2101 | Eupatorium rebaudianum | Tian Ye Ju | 甜叶菊 |
TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
TCMH2376 | Corydalis yanhusuo | Yan Hu Suo | 延胡索 |
TCMH2513 | Rhododendron mucronulatum | Ying Shan Hong | 映山红 |
TCMH270 | Clerodendrum trichotomum | Chou Wu Tong | 臭梧桐 |
TCMH271 | Clerodendrum trichotomum | Chou Wu Tong Ye | 臭梧桐叶 |
TCMH511 | Litsea cubeba | Dou Chi Jiang | 豆豉姜 |
TCMH600 | Euonymus fortunei | Fu Fang Teng | 扶芳藤 |
Ingredient ID: TCMC1737
Formula: C10H18O
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 |
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 |
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: TCMC1608
Formula: C10H16
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 |
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 |
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: TCMC1387
Formula: C20H23NO4
Common Name | Isocorydine |
IUPAC Name | (6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-11-ol |
Canonical SMILES | COc1ccc2c(c1O)c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 |
Standard InCHI | InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1 |
Standard InCHIKey | QELDJEKNFOQJOY-ZDUSSCGKSA-N |
External Identifiers | ChEMBL [CHEMBL489525]; PubChem [10143]; |
Reference of Component-Ingredient Pair | 19730974 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1812 | Litsea cubeba | Shan Cang Zi | 山苍子 |
TCMH1825 | Litsea cubeba | Shan Jiang Zi | 山姜子 |
TCMH2101 | Eupatorium rebaudianum | Tian Ye Ju | 甜叶菊 |
TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
TCMH2376 | Corydalis yanhusuo | Yan Hu Suo | 延胡索 |
TCMH2513 | Rhododendron mucronulatum | Ying Shan Hong | 映山红 |
TCMH270 | Clerodendrum trichotomum | Chou Wu Tong | 臭梧桐 |
TCMH271 | Clerodendrum trichotomum | Chou Wu Tong Ye | 臭梧桐叶 |
TCMH511 | Litsea cubeba | Dou Chi Jiang | 豆豉姜 |
TCMH600 | Euonymus fortunei | Fu Fang Teng | 扶芳藤 |
Ingredient ID: TCMC1383
Formula: C19H21NO4
Common Name | Isoboldine |
IUPAC Name | (6aS)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol |
Canonical SMILES | COc1cc2c(cc1O)C[C@H]1c3c2c(O)c(OC)cc3CCN1C |
Standard InCHI | InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1 |
Standard InCHIKey | LINHZVMHXABQLB-ZDUSSCGKSA-N |
External Identifiers | ChEMBL [CHEMBL462880]; PubChem [133323]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1812 | Litsea cubeba | Shan Cang Zi | 山苍子 |
TCMH1825 | Litsea cubeba | Shan Jiang Zi | 山姜子 |
TCMH2101 | Eupatorium rebaudianum | Tian Ye Ju | 甜叶菊 |
TCMH2281 | Citrus medica | Xiang Yuan | 香橼 |
TCMH2282 | Citrus medica | Xiang Yuan Pi | 香橼皮 |
TCMH2664 | Hypocrella bambusae | Zhu Hong Jun | 竹红菌 |
TCMH2747 | Fissistigma oldhamii | Zuan Shan Feng | 钻山风 |
TCMH511 | Litsea cubeba | Dou Chi Jiang | 豆豉姜 |
Ingredient ID: TCMC1239
Formula: C12H20O2
Common Name | Geranyl Acetate |
IUPAC Name | [(2E)-3,7-dimethylocta-2,6-dienyl] acetate |
Canonical SMILES | C/C(=CCOC(=O)C)/CCC=C(C)C |
Standard InCHI | InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+ |
Standard InCHIKey | HIGQPQRQIQDZMP-DHZHZOJOSA-N |
External Identifiers | ChEMBL [CHEMBL1369384]; PubChem [1549026]; |
Reference of Component-Ingredient Pair | 23449869 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
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 |
TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
TCMH1592 | Origanum vulgare | Niu Zhi | 牛至 |
TCMH160 | Piper cubeba | Bi Cheng Qie | 毕澄茄 |
TCMH1609 | Eupatorium fortunei | Pei Lan | 佩兰 |
TCMH1753 | Boswellia carterii | Ru Xiang | 乳香 |
Ingredient ID: TCMC1238
Formula: C10H18O
Common Name | Geraniol |
IUPAC Name | (2E)-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-JXMROGBWSA-N |
External Identifiers | ChEMBL [CHEMBL25719]; PubChem [637566]; |
Reference of Component-Ingredient Pair | 29070885 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
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 |
TCMH1178 | Citrus reticulata | Ju He | 橘核 |
TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
Ingredient ID: TCMC1159
Formula: C10H12O2
Common Name | Eugenol |
IUPAC Name | 2-methoxy-4-prop-2-enylphenol |
Canonical SMILES | C=CCc1ccc(c(c1)OC)O |
Standard InCHI | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3 |
Standard InCHIKey | RRAFCDWBNXTKKO-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL42710]; PubChem [3314]; |
Reference of Component-Ingredient Pair | 29191726 |
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 |
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 |
TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
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 |
TCMC1159 | C10H12O2 | Eugenol | 164.08 | 0.5166 | 2.34 | 2.484 | 0 | 1 | 29.46 | 5 | 1 | 12 | 0 |
TCMC1238 | C10H18O | Geraniol | 154.14 | 2.3397 | 2.45 | 2.524 | 1 | 1 | 20.23 | 8 | 0 | 11 | 0 |
TCMC1239 | C12H20O2 | Geranyl Acetate | 196.15 | 2.7188 | 2.56 | 3.264 | 2 | 0 | 26.3 | 10 | 0 | 14 | 0 |
TCMC1383 | C19H21NO4 | Isoboldine | 327.15 | -0.6295 | 3 | 1.199 | 1 | 2 | 62.16 | 7 | 4 | 24 | 0 |
TCMC1387 | C20H23NO4 | Isocorydine | 341.16 | -0.221 | 3.11 | 1.718 | 1 | 1 | 51.16 | 8 | 4 | 25 | 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 |
TCMC1608 | C10H16 | Myrcene | 136.13 | 3.0936 | 2.56 | 4.17 | 0 | 0 | 0 | 6 | 0 | 10 | 0 |
TCMC1712 | C15H24O | 220.18 | 1.9144 | 3 | 4.607 | 1 | 0 | 12.53 | 3 | 3 | 16 | 0 |