Description of the Component
Component ID |
TCMH314 |
Latin Name |
Ailanthus altissima |
English Name |
Ailanthus bark, tree of heaven bark |
Chinese Pinyin Name |
Chun Gen Pi |
中文名 |
椿根皮 |
TCM Properties |
Cool,Bitter,Punkery |
TCM Meridians |
|
Therapeutic Class English |
Heat clearence |
Therapeutic Class Chinese |
清热 |
Functions |
remove damp-heat and arrest discharges |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAM1596-14 |
Barcode Source |
BOLDSYSTEMS |
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 |
| TCMT133 | CA1 | Carbonic anhydrase I | Lyase | P00915 |
| TCMT134 | CA2 | Carbonic anhydrase II | Lyase | P00918 |
| TCMT135 | CA14 | Carbonic anhydrase XIV | Lyase | Q9ULX7 |
| TCMT136 | CA12 | Carbonic anhydrase XII | Lyase | O43570 |
| TCMT137 | CA9 | Carbonic anhydrase IX | Lyase | Q16790 |
| TCMT138 | CA7 | Carbonic anhydrase VII | Lyase | P43166 |
| TCMT139 | CA6 | Carbonic anhydrase VI | Lyase | P23280 |
| TCMT140 | CA5B | Carbonic anhydrase VB | Lyase | Q9Y2D0 |
| TCMT141 | CA5A | Carbonic anhydrase VA | Lyase | P35218 |
Showing 1 to 10 of 31 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1175 | Human immunodeficiency virus |
| TCMT1212 | Verticillium dahliae |
| TCMT1218 | Staphylococcus aureus |
| TCMT1251 | Candida albicans |
| TCMT1253 | Penicillium chrysogenum |
| TCMT1286 | Bacillus cereus |
| TCMT1438 | Plasmodium falciparum |
| TCMT1454 | Bacillus subtilis |
| TCMT1462 | Streptococcus mutans |
| TCMT1465 | Entamoeba histolytica |
Showing 1 to 10 of 10 entries
Ingredient Structrues
Ingredient ID: TCMC948
Formula: C9H8O3
Ingredient ID: TCMC948
| Common Name | Coumaric Acid |
| IUPAC Name | (E)-3-(4-hydroxyphenyl)prop-2-enoic acid |
| Canonical SMILES | OC(=O)/C=C/c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ |
| Standard InCHIKey | NGSWKAQJJWESNS-ZZXKWVIFSA-N |
| External Identifiers | ChEMBL [CHEMBL66879]; PubChem [637542]; |
| Reference of Component-Ingredient Pair | 23800587 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
Showing 1 to 10 of 126 entries
Ingredient ID: TCMC865
Formula: C14H8N2O
Ingredient ID: TCMC865
| Common Name | Canthin-6-One |
| IUPAC Name | n.a. |
| Canonical SMILES | O=c1ccc2c3n1c1ccccc1c3ccn2 |
| Standard InCHI | InChI=1S/C14H8N2O/c17-13-6-5-11-14-10(7-8-15-11)9-3-1-2-4-12(9)16(13)14/h1-8H |
| Standard InCHIKey | ZERVJPYNQLONEK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL156897]; PubChem [97176]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1214 | Picrasma quassioides | Ku Mu | 苦木 |
| TCMH2360 | Brucea javanica | Ya Dan Zi | 鸦胆子 |
| TCMH2374 | Phellodendron amurense | Yan Guan Huang Bai | 盐关黄柏 |
| TCMH314 | Ailanthus altissima | Chun Gen Pi | 椿根皮 |
| TCMH316 | Ailanthi cortex | Chun Pi | 椿皮 |
| TCMH717 | Phellodendron amurense | Guan Huang Bai | 关黄柏 |
| TCMH949 | Phellodendron amurense | Huang Bai | 黄柏 |
| TCMH950 | Phellodendron amurense | Huang Bai Fen | 黄柏粉 |
| TCMH951 | Phellodendron amurense | Huang Bai Tan | 黄柏炭 |
| TCMH970 | Vitex negundo | Huang Jing Zi | 黄荆子 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC579
Formula: C7H14O6
Ingredient ID: TCMC579
| Common Name | 6-Methoxycyclohexane-1,2,3,4,5-Pentol |
| IUPAC Name | 6-methoxycyclohexane-1,2,3,4,5-pentol |
| Canonical SMILES | COC1C(O)C(O)C(C(C1O)O)O |
| Standard InCHI | InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3 |
| Standard InCHIKey | DSCFFEYYQKSRSV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL171890]; PubChem [230881]; |
| 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 |
| TCMH1214 | Picrasma quassioides | Ku Mu | 苦木 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH314 | Ailanthus altissima | Chun Gen Pi | 椿根皮 |
| 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 8 of 8 entries
Ingredient ID: TCMC2791
Formula: C25H32O9
Ingredient ID: TCMC2791
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | C/C=C(/C(=O)O[C@@H]1[C@H]2C(=CC(=O)[C@H]([C@]2(C)[C@@H]2[C@]34[C@@H]1OC(=O)C[C@H]4[C@H]([C@H]([C@]2(OC3)O)O)C)O)C)C |
| Standard InCHI | InChI=1S/C25H32O9/c1-6-10(2)21(30)34-17-16-11(3)7-14(26)19(29)23(16,5)22-24-9-32-25(22,31)18(28)12(4)13(24)8-15(27)33-20(17)24/h6-7,12-13,16-20,22,28-29,31H,8-9H2,1-5H3/b10-6+/t12-,13+,16-,17-,18-,19-,20-,22-,23-,24-,25-/m1/s1 |
| Standard InCHIKey | SGZIVQRVNCEYKD-AFYACFJHSA-N |
| External Identifiers | ChEMBL [CHEMBL1171668]; PubChem [49798942]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2790
Formula: C20H24O7
Ingredient ID: TCMC2790
| Common Name | Ailanthone |
| IUPAC Name | n.a. |
| Canonical SMILES | O=C1O[C@@H]2C[C@H]3C(=CC(=O)[C@H]([C@@]3([C@@H]3[C@@]42[C@@H](C1)C(=C)[C@H]([C@@]3(OC4)O)O)C)O)C |
| Standard InCHI | InChI=1S/C20H24O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,10-11,13,15-17,23-25H,2,5-7H2,1,3H3/t10-,11-,13+,15+,16+,17+,18+,19+,20-/m0/s1 |
| Standard InCHIKey | WBBVXGHSWZIJST-RLQYZCPESA-N |
| External Identifiers | ChEMBL [CHEMBL161015]; PubChem [72965]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2740
Formula: C25H36O10
Ingredient ID: TCMC2740
| Common Name | Glaucarubin |
| IUPAC Name | n.a. |
| Canonical SMILES | CCC(C(=O)OC1C(=O)OC2C34C1[C@@H](C)[C@@H](O)[C@](C4[C@@]1(C(C2)C(=C[C@@H]([C@H]1O)O)C)C)(OC3)O)(O)C |
| Standard InCHI | InChI=1S/C25H36O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-18,20,26-28,31-32H,6,8-9H2,1-5H3/t11-,12?,13+,14?,15?,16?,17-,18-,20?,22?,23-,24?,25-/m1/s1 |
| Standard InCHIKey | LZKVXMYVBSNXER-DCNWDFLTSA-N |
| External Identifiers | ChEMBL [CHEMBL2106871]; PubChem [15063]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2720
Formula: C20H26O7
Ingredient ID: TCMC2720
| Common Name | Chaparrinone |
| IUPAC Name | n.a. |
| Canonical SMILES | O=C1O[C@@H]2C[C@H]3C(=CC(=O)[C@H]([C@@]3([C@@H]3[C@@]42[C@@H](C1)[C@@H](C)[C@H]([C@@]3(OC4)O)O)C)O)C |
| Standard InCHI | InChI=1S/C20H26O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,9-11,13,15-17,23-25H,5-7H2,1-3H3/t9-,10+,11+,13-,15-,16-,17-,18-,19-,20+/m1/s1 |
| Standard InCHIKey | VLYMLZRDCSQUQF-RZUZYEBMSA-N |
| External Identifiers | ChEMBL [CHEMBL472016]; PubChem [73154]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2660
Formula: C11H20O
Ingredient ID: TCMC2660
| Common Name | (E)-2-Undecenal |
| IUPAC Name | (E)-undec-2-enal |
| Canonical SMILES | CCCCCCCC/C=C/C=O |
| Standard InCHI | InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+ |
| Standard InCHIKey | PANBRUWVURLWGY-MDZDMXLPSA-N |
| External Identifiers | ChEMBL [CHEMBL451328]; PubChem [5283356]; |
| Reference of Component-Ingredient Pair | 26604343 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1469 | Flos mume | Mei Hua | 梅花 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH2056 | Cynomorium songaricum | Suo Yang | 锁阳 |
| TCMH2071 | Prunus persica | Tao | 桃 |
| TCMH2073 | Prunus persica | Tao Ren | 桃仁 |
| TCMH2074 | Prunus persica | Tao Ren Shuang | 桃仁霜 |
| TCMH2077 | Prunus persica | Tao Zhi | 桃枝 |
| TCMH211 | Atractylodes lancea | Cang Zhu | 苍术 |
| TCMH216 | Fructus tsaoko | Cao Guo | 草果 |
Showing 1 to 10 of 14 entries
Ingredient ID: TCMC2659
Formula: C15H10N2O2
Ingredient ID: TCMC2659
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cnc2c3c1c1ccccc1n3c(=O)cc2 |
| Standard InCHI | InChI=1S/C15H10N2O2/c1-19-12-8-16-10-6-7-13(18)17-11-5-3-2-4-9(11)14(12)15(10)17/h2-8H,1H3 |
| Standard InCHIKey | LEPXKGXTXIACRO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL507610]; PubChem [483522]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
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: 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: 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: TCMC150
Formula: C13H9NO3S
Ingredient ID: TCMC150
| Common Name | (E)-1-(4-Nitrophenyl)-3-Thiophen-2-Ylprop-2-En-1-One |
| IUPAC Name | (E)-1-(4-nitrophenyl)-3-thiophen-2-ylprop-2-en-1-one |
| Canonical SMILES | O=C(c1ccc(cc1)N(=O)=O)/C=C/c1cccs1 |
| Standard InCHI | InChI=1S/C13H9NO3S/c15-13(8-7-12-2-1-9-18-12)10-3-5-11(6-4-10)14(16)17/h1-9H/b8-7+ |
| Standard InCHIKey | QZLINQZBUKTXIZ-BQYQJAHWSA-N |
| External Identifiers | ChEMBL [CHEMBL1288971]; PubChem [5377530]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1323
Formula: C6H12O2
Ingredient ID: TCMC1323
| Common Name | Hexanoate |
| IUPAC Name | hexanoic acid |
| Canonical SMILES | CCCCCC(=O)O |
| Standard InCHI | InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) |
| Standard InCHIKey | FUZZWVXGSFPDMH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14184]; PubChem [8892]; |
| Reference of Component-Ingredient Pair | 28595002 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | 三七干浸膏 |
| TCMH1771 | Panax notoginseng | San Qi Gao Fen | 三七膏粉 |
Showing 1 to 10 of 34 entries
Ingredient ID: TCMC125
Formula: C30H50O4
Ingredient ID: TCMC125
| Common Name | (5R,9R,10R,13S,14S,17S)-4,4,10,13,14-Pentamethyl-17-[(2S,4R,5S)-4,5,6-Trihydroxy-6-Methylheptan-2-Yl]-1,2,5,6,9,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-One |
| IUPAC Name | (5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one |
| Canonical SMILES | O[C@@H]([C@@H](C(O)(C)C)O)C[C@@H]([C@@H]1CC[C@]2([C@@]1(C)CC[C@H]1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C |
| Standard InCHI | InChI=1S/C30H50O4/c1-18(17-22(31)25(33)27(4,5)34)19-11-15-30(8)21-9-10-23-26(2,3)24(32)13-14-28(23,6)20(21)12-16-29(19,30)7/h9,18-20,22-23,25,31,33-34H,10-17H2,1-8H3/t18-,19-,20-,22+,23-,25-,28+,29-,30+/m0/s1 |
| Standard InCHIKey | DCGUKHULKAAOPB-QBLSGNHRSA-N |
| External Identifiers | ChEMBL [CHEMBL1508930]; PubChem [12004524]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
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 |
| TCMC125 | C30H50O4 | (5R,9R,10R,13S,14S,17S)-4,4,10,13,14-Pentamethyl-17-[(2S,4R,5S)-4,5,6-Trihydroxy-6-Methylheptan-2-Yl]-1,2,5,6,9,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-One | 474.37 | 1.7401 | 4.32 | 6.758 | 4 | 3 | 77.76 | 16 | 4 | 34 | 1 |
| TCMC1323 | C6H12O2 | Hexanoate | 116.08 | -1.0177 | 1.9 | 1.88 | 2 | 1 | 37.3 | 6 | 0 | 8 | 0 |
| TCMC150 | C13H9NO3S | (E)-1-(4-Nitrophenyl)-3-Thiophen-2-Ylprop-2-En-1-One | 259.03 | 1.348 | 2.34 | 4.223 | 1 | 0 | 88.45 | 5 | 2 | 18 | 0 |
| TCMC1839 | C7H6O3 | Paraben | 138.03 | -0.7001 | 1.9 | 1.07 | 2 | 2 | 57.53 | 3 | 1 | 10 | 0 |
| TCMC2117 | C22H26O8 | Syringaresinol | 418.16 | -2.1258 | 3 | 0.796 | 2 | 2 | 95.84 | 12 | 4 | 30 | 0 |
| TCMC2222 | C8H8O4 | Vanillic Acid | 168.04 | -0.7519 | 1.9 | 0.626 | 2 | 2 | 66.76 | 5 | 1 | 12 | 0 |
| TCMC2659 | C15H10N2O2 | 250.07 | -0.3255 | 2.67 | 2.365 | 3 | 0 | 44.12 | 2 | 4 | 19 | 0 | |
| TCMC2660 | C11H20O | (E)-2-Undecenal | 168.15 | -1.2524 | 2.56 | 4.695 | 1 | 0 | 17.07 | 9 | 0 | 12 | 0 |
| TCMC2720 | C20H26O7 | Chaparrinone | 378.17 | -1.2786 | 2.89 | 0.226 | 7 | 3 | 113.29 | 6 | 5 | 27 | 0 |
Showing 1 to 10 of 16 entries
Download Data
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