Description of the Component
Component ID |
TCMH1331 |
Latin Name |
Rhaponticum uniflorum |
English Name |
Uniflower swisscentaury |
Chinese Pinyin Name |
Lou Lu |
中文名 |
漏芦 |
TCM Properties |
Bitter,cold |
TCM Meridians |
|
Therapeutic Class English |
Heat clearence |
Therapeutic Class Chinese |
清热 |
Functions |
remove toxic heat for treating subcutaneous infections, promote lactation, and relieve muscular contracture |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Henan Province, Hebei Province,Beijing,Tianjin |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAJ4341-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF3668 | Cui Ru Pills | 催乳丸 |
| TCMF5649 | Ru He Nei Xiao Oral Liquid | 乳核内消液 |
| TCMF5655 | Ru He San Jie Tablets | 乳核散结片 |
| TCMF5705 | Ru Quan Infusion | 乳泉冲剂 |
| TCMF5859 | Xia Ru Yong Quan Powder | 下乳涌泉散 |
| TCMF5928 | Tong Ru Granules | 通乳颗粒 |
| TCMF6053 | Xiao He Tablets | 消核片 |
| TCMF6458 | Xue Bao Capsules | 血宝胶囊 |
| TCMF654 | Ru He San Jie Tablet | 乳核散结片 |
| TCMF657 | Ru Pi Xiao Capsule | 乳癖消胶囊 |
Showing 1 to 10 of 15 entries
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 |
| TCMT102 | ACP1 | Low molecular weight phosphotyrosine protein phosphatase | Hydrolase | P24666 |
| TCMT103 | PTPRF | Receptor-type tyrosine-protein phosphatase F (LAR) | Hydrolase | P10586 |
| TCMT132 | BCHE | Butyrylcholinesterase | Hydrolase | P06276 |
| TCMT133 | CA1 | Carbonic anhydrase I | Lyase | P00915 |
| TCMT134 | CA2 | Carbonic anhydrase II | Lyase | P00918 |
| TCMT150 | RORC | Nuclear receptor ROR-gamma | Nuclear receptor | P51449 |
| TCMT156 | CYP19A1 | Cytochrome P450 19A1 | Oxidoreductase | P11511 |
| TCMT17 | POLB | DNA polymerase beta | Transferase | P06746 |
| TCMT171 | PTPN6 | Protein-tyrosine phosphatase 1C | Hydrolase | P29350 |
Showing 1 to 10 of 22 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1107 | Protease |
| TCMT1218 | Staphylococcus aureus |
| TCMT1229 | Enterococcus faecalis |
| TCMT1232 | Pseudomonas aeruginosa |
| TCMT1246 | Escherichia coli |
| TCMT1255 | Human immunodeficiency virus 1 |
| TCMT1408 | Colletotrichum gloeosporioides |
| TCMT1444 | Fusarium oxysporum |
| TCMT1454 | Bacillus subtilis |
| TCMT1462 | Streptococcus mutans |
Showing 1 to 10 of 11 entries
Ingredient Structrues
Ingredient ID: TCMC845
Formula: C15H24O
Ingredient ID: TCMC845
| Common Name | Butylated Hydroxytoluene |
| IUPAC Name | 2,6-ditert-butyl-4-methylphenol |
| Canonical SMILES | Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C |
| Standard InCHI | InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3 |
| Standard InCHIKey | NLZUEZXRPGMBCV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL146]; PubChem [31404]; |
| Reference of Component-Ingredient Pair | 24021950 |
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 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1331 | Rhaponticum uniflorum | Lou Lu | 漏芦 |
Showing 1 to 10 of 36 entries
Ingredient ID: TCMC7265
Formula: C33H54O12
Ingredient ID: TCMC7265
| Common Name | Ecdysterone-3-O-Β-D-Glucopyranoside |
| IUPAC Name | (2S,3R,5R,9R,10R,13R,14S,17S)-2,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@@H]2C[C@H]3C(=O)C=C4[C@@H]([C@]3(C[C@@H]2O)C)CC[C@]2([C@@]4(O)CC[C@@H]2[C@]([C@@H](CCC(O)(C)C)O)(O)C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C33H54O12/c1-29(2,41)9-8-24(37)32(5,42)23-7-11-33(43)17-12-19(35)18-13-21(44-28-27(40)26(39)25(38)22(15-34)45-28)20(36)14-30(18,3)16(17)6-10-31(23,33)4/h12,16,18,20-28,34,36-43H,6-11,13-15H2,1-5H3/t16-,18-,20-,21+,22+,23-,24+,25+,26-,27+,28+,30+,31+,32+,33+/m0/s1 |
| Standard InCHIKey | APFXLSITBUTSAO-DYGWSSCLSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [102056488]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5800
Formula: C27H44O8
Ingredient ID: TCMC5800
| Common Name | Rhapontisterone |
| IUPAC Name | (2S,3R,5R,9R,10R,11R,13R,14S,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R,5S)-2,3,5-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one |
| Canonical SMILES | CC([C@H](C[C@H]([C@@]([C@H]1CC[C@@]2([C@]1(C)C[C@@H](O)[C@H]1C2=CC(=O)[C@H]2[C@]1(C)C[C@H](O)[C@@H](C2)O)O)(O)C)O)O)C |
| Standard InCHI | InChI=1S/C27H44O8/c1-13(2)16(28)10-22(33)26(5,34)21-6-7-27(35)15-9-17(29)14-8-18(30)19(31)11-24(14,3)23(15)20(32)12-25(21,27)4/h9,13-14,16,18-23,28,30-35H,6-8,10-12H2,1-5H3/t14-,16-,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1 |
| Standard InCHIKey | PJHYXCVCRWJEMV-XYFSXPBDSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11799446]; |
| Reference of Component-Ingredient Pair | 1789111 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC348
Formula: C27H44O7
Ingredient ID: TCMC348
| Common Name | 20-Hydroxyecdysone |
| IUPAC Name | (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one |
| Canonical SMILES | O[C@H]1C[C@@]2(C)[C@@H](C[C@H]1O)C(=O)C=C1[C@@H]2CC[C@]2([C@@]1(O)CC[C@@H]2[C@]([C@@H](CCC(O)(C)C)O)(O)C)C |
| Standard InCHI | InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1 |
| Standard InCHIKey | NKDFYOWSKOHCCO-YPVLXUMRSA-N |
| External Identifiers | ChEMBL [CHEMBL224128]; PubChem [5459840]; |
| Reference of Component-Ingredient Pair | 29126784 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1102 | Tinospora capillipes | Jin Guo Lan | 金果榄 |
| TCMH1331 | Rhaponticum uniflorum | Lou Lu | 漏芦 |
| TCMH1496 | Rhizoma dryopteris crassirhizomae | Mian Ma Guan Zhong | 绵马贯众 |
| TCMH1507 | Commiphora myrrha | Mo Xiang | 没香 |
| TCMH1508 | Commiphora myrrha | Mo Yao | 没药 |
| TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
| TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
| TCMH1652 | Paris polyphylla | Qi Ye Yi Zhi Hua | 七叶一枝花 |
| TCMH1673 | Gentiana macrophylla | Qin Jiao | 秦艽 |
| TCMH1674 | Gentiana straminea | Qin Jiao Hua | 秦艽花 |
Showing 1 to 10 of 22 entries
Ingredient ID: TCMC2613
Formula: C30H48O5
Ingredient ID: TCMC2613
| Common Name | Tomentic Acid |
| IUPAC Name | (1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Canonical SMILES | O[C@@H]1C[C@@]2(C)[C@H](C([C@H]1O)(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@](C)(O)[C@H](C)CC1)C(=O)O)C |
| Standard InCHI | InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1 |
| Standard InCHIKey | OXVUXGFZHDKYLS-BLIWDXROSA-N |
| External Identifiers | ChEMBL [CHEMBL239077]; PubChem [73193]; |
| Reference of Component-Ingredient Pair | 11731906 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
| TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
| TCMH1331 | Rhaponticum uniflorum | Lou Lu | 漏芦 |
| TCMH1615 | Eriobotrya japonica | Pi Ba Ren | 枇杷仁 |
| TCMH2005 | Geum japonicum | Shui Yang Mei | 水杨梅 |
| TCMH2006 | Geum japonicum | Shui Yang Mei Gen | 水杨梅根 |
| TCMH2012 | Lycopus lucidus | Shui Ze Lan | 水泽兰 |
| TCMH2213 | Ipomoea cairica | Wu Zhao Long | 五爪龙 |
Showing 1 to 10 of 13 entries
Ingredient ID: TCMC2512
Formula: C12H8S3
Ingredient ID: TCMC2512
| Common Name | Alpha-Terthienyl |
| IUPAC Name | 2,5-dithiophen-2-ylthiophene |
| Canonical SMILES | c1csc(c1)c1ccc(s1)c1cccs1 |
| Standard InCHI | InChI=1S/C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10/h1-8H |
| Standard InCHIKey | KXSFECAJUBPPFE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL90017]; PubChem [65067]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1024 | Tribulus terrestris | Ji Li | 蒺藜 |
| TCMH1331 | Rhaponticum uniflorum | Lou Lu | 漏芦 |
| TCMH1503 | Eclipta prostrata | Mo Han Lian | 墨旱莲 |
| TCMH2733 | Trachycarpus fortunei | Zong Ban | 棕板 |
| TCMH2734 | Trachycarpus fortunei | Zong Ban Tan | 棕板炭 |
| TCMH2738 | Trachycarpus fortunei | Zong Lv Pi | 棕榈皮 |
| TCMH2740 | Trachycarpus fortunei | Zong Lv Zi | 棕榈子 |
| TCMH320 | Tribulus terrestris | Ci Ji Li | 刺蒺藜 |
| TCMH73 | Tribulus terrestris | Bai Ji Li | 白蒺藜 |
| TCMH800 | Herba ecliptae prostratae | Han Lian Cao | 旱莲草 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC2353
Formula: C12H8S2
Ingredient ID: TCMC2353
| Common Name | 5'-(3-Buten-1-Ynyl)-2,2'-Bithiophene |
| IUPAC Name | 2-but-3-en-1-ynyl-5-thiophen-2-ylthiophene |
| Canonical SMILES | C=CC#Cc1ccc(s1)c1cccs1 |
| Standard InCHI | InChI=1S/C12H8S2/c1-2-3-5-10-7-8-12(14-10)11-6-4-9-13-11/h2,4,6-9H,1H2 |
| Standard InCHIKey | GWAIEOFEEWQORO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL2252901]; PubChem [70813]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2216
Formula: C30H48O3
Ingredient ID: TCMC2216
| Common Name | Ursolic Acid |
| IUPAC Name | (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| Canonical SMILES | C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)O |
| Standard InCHI | InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 |
| Standard InCHIKey | WCGUUGGRBIKTOS-GPOJBZKASA-N |
| External Identifiers | ChEMBL [CHEMBL169]; PubChem [64945]; |
| Reference of Component-Ingredient Pair | 27085377 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| 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 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
Showing 1 to 10 of 99 entries
Ingredient ID: TCMC1925
Formula: C30H48O4
Ingredient ID: TCMC1925
| Common Name | Pomolic Acid |
| IUPAC Name | (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| 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]2[C@](C)(O)[C@H](C)CC1)C(=O)O)C)C |
| Standard InCHI | InChI=1S/C30H48O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20+,21-,22+,23-,26+,27-,28-,29-,30+/m1/s1 |
| Standard InCHIKey | ZZTYPLSBNNGEIS-OPAXANQDSA-N |
| External Identifiers | ChEMBL [CHEMBL486986]; PubChem [382831]; |
| Reference of Component-Ingredient Pair | 11731906 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1331 | Rhaponticum uniflorum | Lou Lu | 漏芦 |
| TCMH1927 | Diospyros kaki | Shi Di | 柿蒂 |
| TCMH1958 | Diospyros kaki | Shi Ye | 柿叶 |
| TCMH2213 | Ipomoea cairica | Wu Zhao Long | 五爪龙 |
| TCMH2286 | Berberis julianae | Xiao Bo Gen | 小檗根 |
Showing 1 to 7 of 7 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1925 | C30H48O4 | Pomolic Acid | 472.36 | 1.0447 | 4.32 | 6.778 | 4 | 3 | 77.76 | 11 | 5 | 34 | 1 |
| TCMC2216 | C30H48O3 | Ursolic Acid | 456.36 | 1.4838 | 4.43 | 8.954 | 3 | 2 | 57.53 | 10 | 5 | 33 | 1 |
| TCMC2353 | C12H8S2 | 5'-(3-Buten-1-Ynyl)-2,2'-Bithiophene | 216.01 | 2.4791 | 2.56 | 4.628 | 0 | 0 | 56.48 | 1 | 2 | 14 | 0 |
| TCMC2512 | C12H8S3 | Alpha-Terthienyl | 247.98 | 1.7718 | 2.45 | 4.693 | 0 | 0 | 84.72 | 2 | 3 | 15 | 0 |
| TCMC2613 | C30H48O5 | Tomentic Acid | 488.35 | 0.822 | 4.21 | 5.966 | 5 | 4 | 97.99 | 12 | 5 | 35 | 1 |
| TCMC348 | C27H44O7 | 20-Hydroxyecdysone | 480.31 | -1.1982 | 3.66 | 1.049 | 7 | 6 | 138.45 | 16 | 4 | 34 | 1 |
| TCMC5800 | C27H44O8 | Rhapontisterone | 496.3036184 | -2.2917 | 3.55 | -0.312 | 8 | 7 | 158.68 | 5 | 4 | 35 | 1 |
| TCMC7265 | C33H54O12 | Ecdysterone-3-O-Β-D-Glucopyranoside | 642.3615272 | -2.9451 | 3.77 | -0.488 | 12 | 9 | 217.6 | 8 | 5 | 45 | 2 |
| TCMC845 | C15H24O | Butylated Hydroxytoluene | 220.18 | 3.2941 | 3 | 5.957 | 0 | 1 | 20.23 | 10 | 1 | 16 | 1 |
Showing 1 to 9 of 9 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
→ Then click the download button.
