Description of the Component
Component ID |
TCMH600 |
Latin Name |
Euonymus fortunei |
English Name |
Forture euonymus |
Chinese Pinyin Name |
Fu Fang Teng |
中文名 |
扶芳藤 |
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 |
GBVF1345-11, GBVF1343-11 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
| TCMT113 | OPRD1 | Delta opioid receptor | GPCR | P41143 |
| TCMT116 | OPRM1 | Mu opioid receptor | GPCR | P35372 |
| TCMT117 | OPRK1 | Kappa opioid receptor | GPCR | P41145 |
| TCMT131 | ACHE | Acetylcholinesterase | Hydrolase | P22303 |
| 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 |
Showing 1 to 10 of 84 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1104 | Sortase |
| TCMT1170 | Enterobacter cloacae |
| TCMT1214 | Enterococcus faecium |
| TCMT1218 | Staphylococcus aureus |
| TCMT1223 | Staphylococcus epidermidis |
| TCMT1229 | Enterococcus faecalis |
| TCMT1232 | Pseudomonas aeruginosa |
| TCMT1246 | Escherichia coli |
| TCMT1251 | Candida albicans |
| TCMT1294 | Human parainfluenza virus 3 |
Showing 1 to 10 of 18 entries
Ingredient Structrues
Ingredient ID: TCMC995
Formula: C35H60O6
Ingredient ID: TCMC995
| 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 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| 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 |
Showing 1 to 10 of 223 entries
Ingredient ID: TCMC848
Formula: C17H17NO3
Ingredient ID: TCMC848
| Common Name | Caffeic Acid Phenethyl Amide |
| IUPAC Name | (E)-3-(3,4-dihydroxyphenyl)-N-(2-phenylethyl)prop-2-enamide |
| Canonical SMILES | OC(=NCCc1ccccc1)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C17H17NO3/c19-15-8-6-14(12-16(15)20)7-9-17(21)18-11-10-13-4-2-1-3-5-13/h1-9,12,19-20H,10-11H2,(H,18,21)/b9-7+ |
| Standard InCHIKey | QOWABIXYAFJMQE-VQHVLOKHSA-N |
| External Identifiers | ChEMBL [CHEMBL67498]; PubChem [11391937]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH600 | Euonymus fortunei | Fu Fang Teng | 扶芳藤 |
Showing 1 to 5 of 5 entries
Ingredient ID: TCMC801
Formula: C29H50O
Ingredient ID: TCMC801
| 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 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| 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 |
Showing 1 to 10 of 331 entries
Ingredient ID: TCMC6
Formula: C20H23NO4
Ingredient ID: TCMC6
| Common Name | (-)-Corydalmine |
| IUPAC Name | (13aS)-2,3,9-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-10-ol |
| Canonical SMILES | COc1cc2c(cc1OC)CCN1[C@H]2Cc2ccc(c(c2C1)OC)O |
| Standard InCHI | InChI=1S/C20H23NO4/c1-23-18-9-13-6-7-21-11-15-12(4-5-17(22)20(15)25-3)8-16(21)14(13)10-19(18)24-2/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1 |
| Standard InCHIKey | DIHXHTWYVOYYDC-INIZCTEOSA-N |
| External Identifiers | ChEMBL [CHEMBL448891]; PubChem [161665]; |
| Reference of Component-Ingredient Pair | 24253642 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH600 | Euonymus fortunei | Fu Fang Teng | 扶芳藤 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC495
Formula: C7H6O2
Ingredient ID: TCMC495
| Common Name | 4-Hydroxybenzaldehyde |
| IUPAC Name | 4-hydroxybenzaldehyde |
| Canonical SMILES | O=Cc1ccc(cc1)O |
| Standard InCHI | InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H |
| Standard InCHIKey | RGHHSNMVTDWUBI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14193]; PubChem [126]; |
| Reference of Component-Ingredient Pair | 23266278 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH123 | Pteris semipinnata | Ban Bian Qi | 半边旗 |
| TCMH1305 | Laggera alata | Liu Ling Ju | 六棱菊 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1339 | Phragmites communis | Lu Gen | 芦根 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
Showing 1 to 10 of 50 entries
Ingredient ID: TCMC338
Formula: C8H8O4
Ingredient ID: TCMC338
| Common Name | 2,6-Dimethoxyquinone |
| IUPAC Name | 2,6-dimethoxycyclohexa-2,5-diene-1,4-dione |
| Canonical SMILES | COC1=CC(=O)C=C(C1=O)OC |
| Standard InCHI | InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3 |
| Standard InCHIKey | OLBNOBQOQZRLMP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL448515]; PubChem [68262]; |
| Reference of Component-Ingredient Pair | 22759912 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1150 | Gynura segetum | Jing Tian San Qi | 景天三七 |
| TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
| TCMH1255 | Tripterygium wilfordii | Lei Gong Teng | 雷公藤 |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
| TCMH2146 | Gynura segetum | Tu San Qi | 土三七 |
| TCMH2263 | Isodon amethystoides | Xiang Cha Cai | 香茶菜 |
| TCMH2300 | Triticum aestivum | Xiao Mai | 小麦 |
| TCMH2310 | Valeriana officinalis | Xie Cao | 缬草 |
Showing 1 to 10 of 22 entries
Ingredient ID: TCMC2642
Formula: C17H9NO3
Ingredient ID: TCMC2642
| Common Name | Liriodenine |
| IUPAC Name | n.a. |
| Canonical SMILES | O=C1c2ccccc2c2c3c1nccc3cc1c2OCO1 |
| Standard InCHI | InChI=1S/C17H9NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-7H,8H2 |
| Standard InCHIKey | MUMCCPUVOAUBAN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL37736]; PubChem [10144]; |
| Reference of Component-Ingredient Pair | 21960256 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH204 | Xanthium sibiricum | Cang Er | 苍耳 |
| TCMH205 | Xanthium sibiricum | Cang Er Cao | 苍耳草 |
| TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
| TCMH249 | Aquilaria agallocha | Chen Xiang | 沉香 |
Showing 1 to 10 of 23 entries
Ingredient ID: TCMC2638
Formula: C15H22O9
Ingredient ID: TCMC2638
| Common Name | 3,4,5-Trimethoxyphenyl-Beta-D-Glucopyranoside |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(OC)c(c(c2)OC)OC)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C15H22O9/c1-20-8-4-7(5-9(21-2)14(8)22-3)23-15-13(19)12(18)11(17)10(6-16)24-15/h4-5,10-13,15-19H,6H2,1-3H3/t10-,11-,12+,13-,15-/m1/s1 |
| Standard InCHIKey | NBLLRWANAFOKON-ZHZXCYKASA-N |
| External Identifiers | ChEMBL [CHEMBL469618]; PubChem [636454]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH586 | Acer saccharum | Feng Shu Ye | 枫树叶 |
| TCMH600 | Euonymus fortunei | Fu Fang Teng | 扶芳藤 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC2543
Formula: C19H21NO5
Ingredient ID: TCMC2543
| Common Name | N-Trans-Feruloylmethoxytyramine |
| IUPAC Name | (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]prop-2-enamide |
| Canonical SMILES | COc1cc(CCN=C(/C=C/c2ccc(c(c2)OC)O)O)ccc1O |
| Standard InCHI | InChI=1S/C19H21NO5/c1-24-17-11-13(3-6-15(17)21)5-8-19(23)20-10-9-14-4-7-16(22)18(12-14)25-2/h3-8,11-12,21-22H,9-10H2,1-2H3,(H,20,23)/b8-5+ |
| Standard InCHIKey | GRXBVKANHNUZNL-VMPITWQZSA-N |
| External Identifiers | ChEMBL [CHEMBL226588]; PubChem [5352115]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1265 | Chenopodium album | Li | 藜 |
| 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 |
| TCMH600 | Euonymus fortunei | Fu Fang Teng | 扶芳藤 |
| TCMH718 | Aristolochia manshuriensis | Guan Mu Tong | 关木通 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2528
Formula: C18H13NO3
Ingredient ID: TCMC2528
| Common Name | Lysicamine |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c(OC)cc2c3c1c1ccccc1C(=O)c3ncc2 |
| Standard InCHI | InChI=1S/C18H13NO3/c1-21-13-9-10-7-8-19-16-14(10)15(18(13)22-2)11-5-3-4-6-12(11)17(16)20/h3-9H,1-2H3 |
| Standard InCHIKey | DPBMWJXWUINLQT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL510090]; PubChem [122691]; |
| Reference of Component-Ingredient Pair | 23445637 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1662 | Pharbitis nil | Qian Niu Zi | 牵牛子 |
| TCMH2051 | Ziziphus jujuba var. spinosa | Suan Zao | 酸枣 |
| TCMH2052 | Ziziphus jujuba var. spinosa | Suan Zao Ren | 酸枣仁 |
| TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
Showing 1 to 10 of 22 entries
Ingredient ID: TCMC2506
Formula: C19H21NO4
Ingredient ID: TCMC2506
| 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 |
Occurrence of the ingredient across TCM components
| 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 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC2458
Formula: C35H58O6
Ingredient ID: TCMC2458
| Common Name | Stigmasterol Glucoside |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-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)/C=C/[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/C35H58O6/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/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1 |
| Standard InCHIKey | VWDLOXMZIGUBKM-AUGXRQBFSA-N |
| External Identifiers | ChEMBL [CHEMBL447335]; PubChem [6602508]; |
| Reference of Component-Ingredient Pair | 16261518 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
| 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 |
| TCMH273 | Fritillaria cirrhosa | Chuan Bei Mu | 川贝母 |
| TCMH274 | Fritillaria cirrhosa | Chuan Bei Mu Liu Jin Gao | 川贝母流浸膏 |
| TCMH287 | Clematidis armandii caulis | Chuan Mu Tong | 川木通 |
| TCMH600 | Euonymus fortunei | Fu Fang Teng | 扶芳藤 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC2317
Formula: C19H21NO4
Ingredient ID: TCMC2317
| 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 |
Occurrence of the ingredient across TCM components
| 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 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC2223
Formula: C8H8O3
Ingredient ID: TCMC2223
| Common Name | Vanillin |
| IUPAC Name | 4-hydroxy-3-methoxybenzaldehyde |
| Canonical SMILES | COc1cc(C=O)ccc1O |
| Standard InCHI | InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 |
| Standard InCHIKey | MWOOGOJBHIARFG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL13883]; PubChem [1183]; |
| Reference of Component-Ingredient Pair | 22980836 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1150 | Gynura segetum | Jing Tian San Qi | 景天三七 |
| 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 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
Showing 1 to 10 of 80 entries
Ingredient ID: TCMC2222
Formula: C8H8O4
Ingredient ID: TCMC2222
| 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 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| 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 |
Showing 1 to 10 of 168 entries
Ingredient ID: TCMC2209
Formula: C9H12N2O6
Ingredient ID: TCMC2209
| Common Name | Uridine |
| IUPAC Name | 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)O |
| Standard InCHI | InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1 |
| Standard InCHIKey | DRTQHJPVMGBUCF-XVFCMESISA-N |
| External Identifiers | ChEMBL [CHEMBL100259]; PubChem [6029]; |
| Reference of Component-Ingredient Pair | 27469509 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1626 | Fritillaria ussuriensis | Ping Bei Mu | 平贝母 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Showing 1 to 10 of 45 entries
Ingredient ID: TCMC2119
Formula: C9H10O5
Ingredient ID: TCMC2119
| Common Name | Syringic Acid |
| IUPAC Name | 4-hydroxy-3,5-dimethoxybenzoic acid |
| Canonical SMILES | COc1cc(cc(c1O)OC)C(=O)O |
| Standard InCHI | InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12) |
| Standard InCHIKey | JMSVCTWVEWCHDZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1414]; PubChem [10742]; |
| Reference of Component-Ingredient Pair | 23800587 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
Showing 1 to 10 of 78 entries
Ingredient ID: TCMC2117
Formula: C22H26O8
Ingredient ID: TCMC2117
| Common Name | Syringaresinol |
| IUPAC Name | 4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol |
| Canonical SMILES | COc1cc(cc(c1O)OC)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(c(c1)OC)O |
| Standard InCHI | InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1 |
| Standard InCHIKey | KOWMJRJXZMEZLD-HCIHMXRSSA-N |
| External Identifiers | ChEMBL [CHEMBL361362]; PubChem [443023]; |
| Reference of Component-Ingredient Pair | 23444043 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1086 | Sambucus williamsii | Jie Gu Mu | 接骨木 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH149 | Lepidium apetalum | Bei Ting Li Zi | 北葶苈子 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
| TCMH1943 | Punica granatum | Shi Liu | 石榴 |
| TCMH1944 | Punica granatum | Shi Liu Pi | 石榴皮 |
| TCMH1945 | Punica granatum | Shi Liu Zi | 石榴子 |
Showing 1 to 10 of 32 entries
Ingredient ID: TCMC2107
Formula: C29H48O
Ingredient ID: TCMC2107
| Common Name | Stigmasterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | HCXVJBMSMIARIN-PHZDYDNGSA-N |
| External Identifiers | ChEMBL [CHEMBL400247]; PubChem [5280794]; |
| Reference of Component-Ingredient Pair | 16261518 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| 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 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 110 entries
Ingredient ID: TCMC1839
Formula: C7H6O3
Ingredient ID: TCMC1839
| Common Name | Paraben |
| IUPAC Name | 4-oxoniobenzoate |
| Canonical SMILES | Oc1ccc(cc1)C(=O)O |
| Standard InCHI | InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) |
| Standard InCHIKey | FJKROLUGYXJWQN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL441343]; PubChem [3702506]; |
| Reference of Component-Ingredient Pair | 8087979 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
Showing 1 to 10 of 162 entries
Ingredient ID: TCMC1814
Formula: C20H17NO5
Ingredient ID: TCMC1814
| Common Name | Oxoglaucine |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(cc1OC)C(=O)c1c3c2c(OC)c(OC)cc3ccn1 |
| Standard InCHI | InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3 |
| Standard InCHIKey | ZYKCETVKVRJFGD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL470881]; PubChem [97662]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH350 | Gelsemium elegans | Da Cha Yao | 大茶药 |
| TCMH600 | Euonymus fortunei | Fu Fang Teng | 扶芳藤 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC1748
Formula: C20H23NO4
Ingredient ID: TCMC1748
| 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 |
Occurrence of the ingredient across TCM components
| 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 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC1741
Formula: C6H5NO2
Ingredient ID: TCMC1741
| 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 |
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 |
| 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 |
Showing 1 to 10 of 56 entries
Ingredient ID: TCMC1582
Formula: C8H8O3
Ingredient ID: TCMC1582
| Common Name | Methylparaben |
| IUPAC Name | methyl 4-hydroxybenzoate |
| Canonical SMILES | COC(=O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3 |
| Standard InCHIKey | LXCFILQKKLGQFO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL325372]; PubChem [7456]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1122 | Psammosilene tunicoides | Jin Tie Suo | 金铁锁 |
| TCMH1278 | Radix zanthoxyli | Liang Mian Zhen | 两面针 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1305 | Laggera alata | Liu Ling Ju | 六棱菊 |
| TCMH1539 | Cucurbita moschata | Nan Gua | 南瓜 |
| TCMH1628 | Fructus psoraleae corylifoliae | Po Gu Zhi | 破故纸 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
Showing 1 to 10 of 22 entries
Ingredient ID: TCMC1566
Formula: C10H10O3
Ingredient ID: TCMC1566
| Common Name | Methyl P-Hydroxycinnamate |
| IUPAC Name | methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| Canonical SMILES | COC(=O)/C=C/c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+ |
| Standard InCHIKey | NITWSHWHQAQBAW-QPJJXVBHSA-N |
| External Identifiers | ChEMBL [CHEMBL146816]; PubChem [5319562]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1896 | Radix rehmanniae | Sheng Di Huang | 生地黄 |
| TCMH1897 | Radix rehmanniae | Sheng Di Huang Zhi | 生地黄汁 |
| TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
| TCMH2147 | Radix rehmanniae | Tu Sheng Di | 土生地 |
| TCMH2207 | Schisandra sphenanthera | Wu Xiang Xue Teng | 五香血藤 |
| 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 |
| TCMH600 | Euonymus fortunei | Fu Fang Teng | 扶芳藤 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC1556
Formula: C9H10O3
Ingredient ID: TCMC1556
| Common Name | Methyl 4-Methoxybenzoate |
| IUPAC Name | methyl 4-methoxybenzoate |
| Canonical SMILES | COc1ccc(cc1)C(=O)OC |
| Standard InCHI | InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3 |
| Standard InCHIKey | DDIZAANNODHTRB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1762668]; PubChem [8499]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
| TCMH2211 | Artemisia princeps | Wu Yue Ai | 五月艾 |
| 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 |
| TCMH600 | Euonymus fortunei | Fu Fang Teng | 扶芳藤 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1436
Formula: C20H30O2
Ingredient ID: TCMC1436
| Common Name | Kaurenoic Acid |
| IUPAC Name | n.a. |
| Canonical SMILES | C=C1C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H](CC2)[C@@](C)(CCC1)C(=O)O)C |
| Standard InCHI | InChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20-/m1/s1 |
| Standard InCHIKey | NIKHGUQULKYIGE-OTCXFQBHSA-N |
| External Identifiers | ChEMBL [CHEMBL489140]; PubChem [73062]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH139 | Thlaspi arvense | Bei Bai Jiang | 北败酱 |
| TCMH2082 | Acanthopanax gracilistylus | Teng Wu Jia Gen | 藤五加根 |
| TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
| TCMH2139 | Acanthopanax gracilistylus | Tu Jia Pi | 土加皮 |
| TCMH2152 | Acanthopanax gracilistylus | Tu Wu Jia | 土五加 |
| TCMH2185 | Acanthopanax gracilistylus | Wu Jia Pi | 五加皮 |
| 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 |
| TCMH279 | Angelica pubescens | Chuan Du Huo | 川独活 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC1417
Formula: C8H8O3
Ingredient ID: TCMC1417
| 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 |
Occurrence of the ingredient across TCM components
| 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 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC1387
Formula: C20H23NO4
Ingredient ID: TCMC1387
| 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 |
Occurrence of the ingredient across TCM components
| 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 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC1173
Formula: C10H10O4
Ingredient ID: TCMC1173
| Common Name | Ferulic Acid |
| IUPAC Name | (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid |
| Canonical SMILES | COc1cc(/C=C/C(=O)O)ccc1O |
| Standard InCHI | InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ |
| Standard InCHIKey | KSEBMYQBYZTDHS-HWKANZROSA-N |
| External Identifiers | ChEMBL [CHEMBL32749]; PubChem [445858]; |
| Reference of Component-Ingredient Pair | 25130191 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1024 | Tribulus terrestris | Ji Li | 蒺藜 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
Showing 1 to 10 of 158 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1173 | C10H10O4 | Ferulic Acid | 194.06 | -0.3908 | 2.12 | 1.231 | 2 | 2 | 66.76 | 6 | 1 | 14 | 0 |
| TCMC1387 | C20H23NO4 | Isocorydine | 341.16 | -0.221 | 3.11 | 1.718 | 1 | 1 | 51.16 | 8 | 4 | 25 | 0 |
| TCMC1417 | C8H8O3 | Isovanillin | 152.05 | -0.7045 | 2.01 | 1.04 | 1 | 1 | 46.53 | 4 | 1 | 11 | 0 |
| TCMC1436 | C20H30O2 | Kaurenoic Acid | 302.22 | 1.3222 | 3.44 | 6.629 | 2 | 1 | 37.3 | 4 | 4 | 22 | 1 |
| TCMC1556 | C9H10O3 | Methyl 4-Methoxybenzoate | 166.06 | -0.0406 | 2.12 | 1.91 | 2 | 0 | 35.53 | 5 | 1 | 12 | 0 |
| TCMC1566 | C10H10O3 | Methyl P-Hydroxycinnamate | 178.06 | -0.088 | 2.23 | 2.207 | 2 | 1 | 46.53 | 5 | 1 | 13 | 0 |
| TCMC1582 | C8H8O3 | Methylparaben | 152.05 | -0.4491 | 2.01 | 1.391 | 2 | 1 | 46.53 | 4 | 1 | 11 | 0 |
| TCMC1741 | C6H5NO2 | Niacin | 123.03 | -0.2398 | 1.79 | 0.637 | 3 | 1 | 50.19 | 2 | 1 | 9 | 0 |
| TCMC1748 | C20H23NO4 | N-Methyllaurotetanine | 341.16 | -0.221 | 3.11 | 1.718 | 1 | 1 | 51.16 | 8 | 4 | 25 | 0 |
| TCMC1814 | C20H17NO5 | Oxoglaucine | 351.11 | -0.471 | 3 | 1.827 | 2 | 0 | 66.88 | 8 | 4 | 26 | 0 |
Showing 1 to 10 of 30 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
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