Description of the Component
Component ID |
TCMH2200 |
Latin Name |
Firmiana simplex |
English Name |
Parasol trees |
Chinese Pinyin Name |
Wu Tong Ye Jin Gao |
中文名 |
梧桐叶浸膏 |
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 |
|
Barcode Source |
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT1 | EHMT2 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Transferase | Q96KQ7 |
| TCMT112 | ADORA3 | Adenosine A3 receptor | GPCR | P0DMS8 |
| TCMT131 | ACHE | Acetylcholinesterase | Hydrolase | P22303 |
| TCMT132 | BCHE | Butyrylcholinesterase | Hydrolase | P06276 |
| TCMT158 | EPHX2 | Epoxide hydratase | Lyase | P34913 |
| TCMT162 | UGT1A1 | UDP-glucuronosyltransferase 1-1 | Transferase | P22309 |
| TCMT17 | POLB | DNA polymerase beta | Transferase | P06746 |
| TCMT18 | GAA | Lysosomal alpha-glucosidase | Hydrolase | P10253 |
| TCMT186 | MAOB | Monoamine oxidase B | Oxidoreductase | P27338 |
| TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
Showing 1 to 10 of 38 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1099 | Neuraminidase |
| TCMT1109 | Reverse transcriptase |
| TCMT1176 | Streptococcus pneumoniae |
| TCMT1191 | Bacillus megaterium |
| TCMT1212 | Verticillium dahliae |
| TCMT1214 | Enterococcus faecium |
| TCMT1217 | Bacillus anthracis |
| TCMT1218 | Staphylococcus aureus |
| TCMT1229 | Enterococcus faecalis |
| TCMT1236 | Mycobacterium bovis |
Showing 1 to 10 of 25 entries
Ingredient Structrues
Ingredient ID: TCMC850
Formula: C8H10N4O2
Ingredient ID: TCMC850
| Common Name | Caffeine |
| IUPAC Name | 1,3,7-trimethylpurine-2,6-dione |
| Canonical SMILES | Cn1cnc2c1c(=O)n(C)c(=O)n2C |
| Standard InCHI | InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 |
| Standard InCHIKey | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL113]; PubChem [2519]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1177 | Ilex cornuta | Ju Gu Ye | 枸骨叶 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2200 | Firmiana simplex | Wu Tong Ye Jin Gao | 梧桐叶浸膏 |
| TCMH2215 | Ficus simplicissima | Wu Zhi Mao Tao | 五指毛桃 |
| TCMH226 | Camellia sinensis | Cha Ye | 茶叶 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH51 | Camellia sinensis | Bai Cha | 白茶 |
| TCMH561 | Senegalia catechu | Fang Er Cha | 方儿茶 |
| TCMH565 | Stephania tetrandra | Fang Ji | 防己 |
Showing 1 to 10 of 15 entries
Ingredient ID: TCMC603
Formula: C20H30O2
Ingredient ID: TCMC603
| Common Name | Abietic Acid |
| IUPAC Name | (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid |
| Canonical SMILES | CC(C1=CC2=CC[C@@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C |
| Standard InCHI | InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1 |
| Standard InCHIKey | RSWGJHLUYNHPMX-ONCXSQPRSA-N |
| External Identifiers | ChEMBL [CHEMBL71893]; PubChem [10569]; |
| Reference of Component-Ingredient Pair | 21941891 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1025 | Loropetalum chinense | Ji Mu Ye Jin Gao | 继木叶浸膏 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1348 | Liquidambar formosana | Lu Lu Tong | 路路通 |
| TCMH1417 | Pinus massoniana | Ma Wei Song Gen | 马尾松根 |
| TCMH1418 | Pinus massoniana | Ma Wei Song Shu Gen | 马尾松树根 |
| TCMH2033 | Pinus massoniana | Song Xiang | 松香 |
| TCMH2035 | Pinus massoniana | Song Zhi | 松脂 |
| TCMH2200 | Firmiana simplex | Wu Tong Ye Jin Gao | 梧桐叶浸膏 |
| TCMH592 | Liquidambar formosana | Feng Xiang Ye | 枫香叶 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC426
Formula: C16H16O2
Ingredient ID: TCMC426
| Common Name | 3,5-O-Dimethylpinosylvin |
| IUPAC Name | 1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene |
| Canonical SMILES | COc1cc(/C=C/c2ccccc2)cc(c1)OC |
| Standard InCHI | InChI=1S/C16H16O2/c1-17-15-10-14(11-16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+ |
| Standard InCHIKey | BIYGTLDPTJMNET-CMDGGOBGSA-N |
| External Identifiers | ChEMBL [CHEMBL188181]; PubChem [5316874]; |
| 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 |
| TCMH128 | Castanea mollissima | Ban Li Ke | 板栗壳 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2200 | Firmiana simplex | Wu Tong Ye Jin Gao | 梧桐叶浸膏 |
| TCMH981 | Astragalus membranaceus | Huang Qi | 黄芪 |
| TCMH983 | Astragalus membranaceus | Huang Qi Gan Jin Gao | 黄芪干浸膏 |
| TCMH984 | Astragalus membranaceus | Huang Qi Jin Gao | 黄芪浸膏 |
| TCMH985 | Astragalus membranaceus | Huang Qi Ti Qu Ye | 黄芪提取液 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC2667
Formula: C30H50O
Ingredient ID: TCMC2667
| Common Name | Beta-Amyrin |
| IUPAC Name | (3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol |
| Canonical SMILES | O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C)C |
| Standard InCHI | InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1 |
| Standard InCHIKey | JFSHUTJDVKUMTJ-QHPUVITPSA-N |
| External Identifiers | ChEMBL [CHEMBL455098]; PubChem [73145]; |
| Reference of Component-Ingredient Pair | 23074889 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
Showing 1 to 10 of 44 entries
Ingredient ID: TCMC2511
Formula: C32H52O2
Ingredient ID: TCMC2511
| Common Name | Beta-Amyrin Acetate |
| IUPAC Name | [(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate |
| Canonical SMILES | CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C)C |
| Standard InCHI | InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)24(28(26,4)5)12-15-32(9)25(30)11-10-22-23-20-27(2,3)16-17-29(23,6)18-19-31(22,32)8/h10,23-26H,11-20H2,1-9H3/t23-,24-,25+,26-,29+,30-,31+,32+/m0/s1 |
| Standard InCHIKey | UMRPOGLIBDXFNK-ZYGITSNFSA-N |
| External Identifiers | ChEMBL [CHEMBL489760]; PubChem [92156]; |
| Reference of Component-Ingredient Pair | 21116772 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1363 | Arundo donax | Lu Zhu Gen | 芦竹根 |
| TCMH2200 | Firmiana simplex | Wu Tong Ye Jin Gao | 梧桐叶浸膏 |
| TCMH2267 | Periploca sepium | Xiang Jia Pi | 香加皮 |
| TCMH2275 | Dracocephalum moldavica | Xiang Qing Lan | 香青兰 |
| TCMH2371 | Juniperus formosana | Yan Bai | 岩柏 |
| TCMH256 | Wolfiporia cocos | Chi Fu Ling | 赤茯苓 |
| TCMH2659 | Poria cocos | Zhu Fu Shen | 朱茯神 |
| TCMH606 | Wolfiporia cocos | Fu Ling | 茯苓 |
| TCMH84 | Ficus pumila | Bai Li | 薜荔 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC2409
Formula: C20H28O2
Ingredient ID: TCMC2409
| Common Name | Dehydroabietic Acid |
| IUPAC Name | (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid |
| Canonical SMILES | OC(=O)[C@]1(C)CCC[C@]2([C@H]1CCc1c2ccc(c1)C(C)C)C |
| Standard InCHI | InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1 |
| Standard InCHIKey | NFWKVWVWBFBAOV-MISYRCLQSA-N |
| External Identifiers | ChEMBL [CHEMBL12850]; PubChem [94391]; |
| Reference of Component-Ingredient Pair | 22066445 |
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 |
| TCMH1348 | Liquidambar formosana | Lu Lu Tong | 路路通 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2200 | Firmiana simplex | Wu Tong Ye Jin Gao | 梧桐叶浸膏 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH592 | Liquidambar formosana | Feng Xiang Ye | 枫香叶 |
| TCMH594 | Liquidambar formosana | Feng Xiang Zhi Chou Gao | 枫香脂稠膏 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC2324
Formula: C10H16
Ingredient ID: TCMC2324
| Common Name | Limonene |
| IUPAC Name | (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene |
| Canonical SMILES | CC1=CC[C@@H](CC1)C(=C)C |
| Standard InCHI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1 |
| Standard InCHIKey | XMGQYMWWDOXHJM-JTQLQIEISA-N |
| External Identifiers | ChEMBL [CHEMBL449062]; PubChem [440917]; |
| Reference of Component-Ingredient Pair | 22945026 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
Showing 1 to 10 of 147 entries
Ingredient ID: TCMC2031
Formula: C27H30O16
Ingredient ID: TCMC2031
| Common Name | Rutin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 |
| Standard InCHIKey | IKGXIBQEEMLURG-NVPNHPEKSA-N |
| External Identifiers | ChEMBL [CHEMBL226335]; PubChem [5280805]; |
| Reference of Component-Ingredient Pair | 26408079 |
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 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
| TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 215 entries
Ingredient ID: TCMC1901
Formula: C15H14O2
Ingredient ID: TCMC1901
| Common Name | Pinosylvin Methyl Ether |
| IUPAC Name | 3-methoxy-5-[(E)-2-phenylethenyl]phenol |
| Canonical SMILES | COc1cc(/C=C/c2ccccc2)cc(c1)O |
| Standard InCHI | InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+ |
| Standard InCHIKey | JVIXPWIEOVZVJC-BQYQJAHWSA-N |
| External Identifiers | ChEMBL [CHEMBL186366]; PubChem [5281719]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH128 | Castanea mollissima | Ban Li Ke | 板栗壳 |
| TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| 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 |
| TCMH2200 | Firmiana simplex | Wu Tong Ye Jin Gao | 梧桐叶浸膏 |
| TCMH264 | Laggera pterodonta | Chu Ling Dan | 臭灵丹 |
| TCMH265 | Laggera pterodonta | Chu Ling Dan Cao | 臭灵丹草 |
| TCMH2728 | Aster tataricus | Zi Wan | 紫菀 |
Showing 1 to 10 of 16 entries
Ingredient ID: TCMC1896
Formula: C20H30O2
Ingredient ID: TCMC1896
| Common Name | Pimaric Acid |
| IUPAC Name | (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid |
| Canonical SMILES | C=C[C@]1(C)CC[C@H]2C(=C1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O |
| Standard InCHI | InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)/t15-,16+,18+,19+,20+/m0/s1 |
| Standard InCHIKey | MHVJRKBZMUDEEV-APQLOABGSA-N |
| External Identifiers | ChEMBL [CHEMBL1410398]; PubChem [220338]; |
| Reference of Component-Ingredient Pair | 22066445 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1514
Formula: C30H48O
Ingredient ID: TCMC1514
| Common Name | Lupenone |
| IUPAC Name | (1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one |
| Canonical SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C |
| Standard InCHI | InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1 |
| Standard InCHIKey | GRBHNQFQFHLCHO-BHMAJAPKSA-N |
| External Identifiers | ChEMBL [CHEMBL486393]; PubChem [92158]; |
| Reference of Component-Ingredient Pair | 22759912 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
| TCMH1660 | Senecio scandens | Qian Li Guang | 千里光 |
| TCMH1753 | Boswellia carterii | Ru Xiang | 乳香 |
| TCMH2200 | Firmiana simplex | Wu Tong Ye Jin Gao | 梧桐叶浸膏 |
| TCMH2297 | Cirsium setosum | Xiao Ji | 小蓟 |
| TCMH938 | Sophora japonica | Huai Hua | 槐花 |
| TCMH940 | Sophora japonica | Huai Jiao | 槐角 |
| TCMH941 | Sophora japonica | Huai Mi | 槐米 |
| TCMH945 | Sophora japonica | Huai Zhi | 槐枝 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC1272
Formula: C5H11NO2
Ingredient ID: TCMC1272
| Common Name | Glycinebetaine |
| IUPAC Name | 2-(trimethylazaniumyl)acetate |
| Canonical SMILES | [O-]C(=O)C[N+](C)(C)C |
| Standard InCHI | InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 |
| Standard InCHIKey | KWIUHFFTVRNATP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1182]; PubChem [247]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1511 | Momordica cochinchinensis | Mu Bie Zi | 木鳖子 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
| TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
| TCMH2102 | Concretio silicea bambusae | Tian Zhu Huang | 天竺黄 |
| TCMH2200 | Firmiana simplex | Wu Tong Ye Jin Gao | 梧桐叶浸膏 |
| TCMH228 | Bupleurum chinense | Chai Hu | 柴胡 |
| TCMH229 | Bupleurum chinense | Chai Hu Jin Gao | 柴胡浸膏 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC1134
Formula: C10H12O
Ingredient ID: TCMC1134
| Common Name | Estragole |
| IUPAC Name | 1-methoxy-4-prop-2-enylbenzene |
| Canonical SMILES | COc1ccc(cc1)CC=C |
| Standard InCHI | InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3 |
| Standard InCHIKey | ZFMSMUAANRJZFM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL470671]; PubChem [8815]; |
| Reference of Component-Ingredient Pair | 29191726 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| 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 |
Showing 1 to 10 of 58 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1134 | C10H12O | Estragole | 148.09 | 0.9769 | 2.45 | 3.658 | 0 | 0 | 9.23 | 4 | 1 | 11 | 0 |
| TCMC1272 | C5H11NO2 | Glycinebetaine | 117.08 | -2.2564 | 1.68 | -1.227 | 2 | 0 | 40.13 | 6 | 0 | 8 | 0 |
| TCMC1514 | C30H48O | Lupenone | 424.37 | 3.801 | 4.65 | 11.294 | 1 | 0 | 17.07 | 8 | 5 | 31 | 1 |
| TCMC1896 | C20H30O2 | Pimaric Acid | 302.22 | 1.7675 | 3.44 | 6.935 | 2 | 1 | 37.3 | 6 | 3 | 22 | 1 |
| TCMC1901 | C15H14O2 | Pinosylvin Methyl Ether | 226.1 | -0.0443 | 2.89 | 5.973 | 0 | 1 | 29.46 | 5 | 2 | 17 | 1 |
| TCMC2031 | C27H30O16 | Rutin | 610.15 | -6.139 | 2.67 | -1.188 | 11 | 10 | 265.52 | 17 | 5 | 43 | 2 |
| TCMC2324 | C10H16 | Limonene | 136.13 | 2.1424 | 2.56 | 3.729 | 0 | 0 | 0 | 3 | 1 | 10 | 0 |
| TCMC2409 | C20H28O2 | Dehydroabietic Acid | 300.21 | 0.9014 | 3.44 | 7.946 | 2 | 1 | 37.3 | 7 | 3 | 22 | 1 |
| TCMC2511 | C32H52O2 | Beta-Amyrin Acetate | 468.4 | 3.3907 | 4.76 | 12.286 | 2 | 0 | 26.3 | 11 | 5 | 34 | 1 |
| TCMC2667 | C30H50O | Beta-Amyrin | 426.39 | 3.0116 | 4.65 | 11.546 | 1 | 1 | 20.23 | 9 | 5 | 31 | 1 |
Showing 1 to 10 of 13 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
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