Description of the Component
Component ID |
TCMH1592 |
Latin Name |
Origanum vulgare |
English Name |
wild marjoram |
Chinese Pinyin Name |
Niu Zhi |
中文名 |
牛至 |
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 |
ITSAL862-14 |
Barcode Source |
BOLDSYSTEMS |
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT130 | ALOX5 | Arachidonate 5-lipoxygenase | Oxidoreductase | P09917 |
| 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 |
| TCMT142 | CA4 | Carbonic anhydrase IV | Lyase | P22748 |
| TCMT156 | CYP19A1 | Cytochrome P450 19A1 | Oxidoreductase | P11511 |
Showing 1 to 10 of 28 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1178 | Actinomyces viscosus |
| TCMT1209 | Staphylococcus haemolyticus |
| TCMT1210 | Streptococcus sobrinus |
| TCMT1211 | Fusobacterium nucleatum |
| TCMT1218 | Staphylococcus aureus |
| TCMT1223 | Staphylococcus epidermidis |
| TCMT1226 | Klebsiella pneumoniae |
| TCMT1229 | Enterococcus faecalis |
| TCMT1246 | Escherichia coli |
| TCMT1251 | Candida albicans |
Showing 1 to 10 of 18 entries
Ingredient Structrues
Ingredient ID: TCMC872
Formula: C10H14O
Ingredient ID: TCMC872
| Common Name | Carvacrol |
| IUPAC Name | 2-methyl-5-propan-2-ylphenol |
| Canonical SMILES | CC(c1ccc(c(c1)O)C)C |
| Standard InCHI | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3 |
| Standard InCHIKey | RECUKUPTGUEGMW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL281202]; PubChem [10364]; |
| Reference of Component-Ingredient Pair | 29658714 |
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 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH122 | Lobelia chinensis | Ban Bian Lian | 半边莲 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 74 entries
Ingredient ID: TCMC598
Formula: C21H22O4
Ingredient ID: TCMC598
| Common Name | 9-[(2E)-3,7-Dimethylocta-2,6-Dienoxy]Furo[3,2-G]Chromen-7-One |
| IUPAC Name | 9-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one |
| Canonical SMILES | C/C(=CCOc1c2occc2cc2c1oc(=O)cc2)/CCC=C(C)C |
| Standard InCHI | InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-19-17(10-12-23-19)13-16-7-8-18(22)25-20(16)21/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+ |
| Standard InCHIKey | SOVNCTNQAWWYAQ-OQLLNIDSSA-N |
| External Identifiers | ChEMBL [CHEMBL1412710]; PubChem [5317564]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1592 | Origanum vulgare | Niu Zhi | 牛至 |
| TCMH176 | Daucus carota var. sativa | Bian Luo Bo | 卞萝卜 |
| TCMH1846 | Artemisia capillaris | Shan Yin Chen | 山茵陈 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2093 | Carpesium abrotanoides | Tian Ming Jing | 天名精 |
| TCMH2154 | Artemisia capillaris | Tu Yin Chen Hao | 土茵陈蒿 |
| TCMH2281 | Citrus medica | Xiang Yuan | 香橼 |
Showing 1 to 10 of 14 entries
Ingredient ID: TCMC2691
Formula: C32H52O2
Ingredient ID: TCMC2691
| Common Name | Lupenyl Acetate |
| IUPAC Name | [(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate |
| Canonical SMILES | CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@]1([C@@H]2[C@@H](CC1)C(=C)C)C)C)C |
| Standard InCHI | InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,29+,30-,31+,32+/m0/s1 |
| Standard InCHIKey | ODSSDTBFHAYYMD-YOJQYFTNSA-N |
| External Identifiers | ChEMBL [CHEMBL453802]; PubChem [92157]; |
| Reference of Component-Ingredient Pair | 22518080 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2186
Formula: C30H62
Ingredient ID: TCMC2186
| Common Name | Triacontane |
| IUPAC Name | triacontane |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3 |
| Standard InCHIKey | JXTPJDDICSTXJX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1482375]; PubChem [12535]; |
| Reference of Component-Ingredient Pair | 21395331 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1592 | Origanum vulgare | Niu Zhi | 牛至 |
| TCMH1889 | Lycopodium japonicum | Shen Jin Cao | 伸筋草 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH193 | Psoralea corylifolia | Bu Gu Zhi | 补骨脂 |
| TCMH1962 | Gymnadenia conopsea | Shou Shen | 手参 |
| TCMH2056 | Cynomorium songaricum | Suo Yang | 锁阳 |
| TCMH210 | Terminalia chebula | Cang Qing Guo | 藏青果 |
Showing 1 to 10 of 13 entries
Ingredient ID: TCMC2166
Formula: C10H14O
Ingredient ID: TCMC2166
| Common Name | Thymol |
| IUPAC Name | 5-methyl-2-propan-2-ylphenol |
| Canonical SMILES | Cc1ccc(c(c1)O)C(C)C |
| Standard InCHI | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3 |
| Standard InCHIKey | MGSRCZKZVOBKFT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL29411]; PubChem [6989]; |
| Reference of Component-Ingredient Pair | 29191726 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1292 | Radix smilacis | Ling Xian | 灵仙 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1380 | Humulus japonicus | Lv Cao | 葎草 |
Showing 1 to 10 of 69 entries
Ingredient ID: TCMC1956
Formula: C7H6O4
Ingredient ID: TCMC1956
| Common Name | Protocatechuic Acid |
| IUPAC Name | 3,4-dihydroxybenzoic acid |
| Canonical SMILES | OC(=O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) |
| Standard InCHIKey | YQUVCSBJEUQKSH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL37537]; PubChem [72]; |
| Reference of Component-Ingredient Pair | 24685503 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH10 | Blumea balsamifera | Ai Pian | 艾片 |
| 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 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH11 | Blumea balsamifera | Ai Tan | 艾炭 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
Showing 1 to 10 of 194 entries
Ingredient ID: TCMC1535
Formula: C6H14O6
Ingredient ID: TCMC1535
| Common Name | Mannitol |
| IUPAC Name | (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol |
| Canonical SMILES | OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
| Standard InCHI | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 |
| Standard InCHIKey | FBPFZTCFMRRESA-KVTDHHQDSA-N |
| External Identifiers | ChEMBL [CHEMBL689]; PubChem [6251]; |
| Reference of Component-Ingredient Pair | 29968805 |
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 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1226 | Laminaria japonica | Kun Bu | 昆布 |
| TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
Showing 1 to 10 of 63 entries
Ingredient ID: TCMC1374
Formula: C6H12O6
Ingredient ID: TCMC1374
| Common Name | Inositol |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- |
| Standard InCHIKey | CDAISMWEOUEBRE-GPIVLXJGSA-N |
| External Identifiers | ChEMBL [CHEMBL1222251]; PubChem [N/A]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| 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 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1394 | Capparis masaikai | Ma Bing Lang | 马槟榔 |
| TCMH1484 | Apis cerana | Mi La | 蜜蜡 |
Showing 1 to 10 of 47 entries
Ingredient ID: TCMC1239
Formula: C12H20O2
Ingredient ID: TCMC1239
| Common Name | Geranyl Acetate |
| IUPAC Name | [(2E)-3,7-dimethylocta-2,6-dienyl] acetate |
| Canonical SMILES | C/C(=CCOC(=O)C)/CCC=C(C)C |
| Standard InCHI | InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+ |
| Standard InCHIKey | HIGQPQRQIQDZMP-DHZHZOJOSA-N |
| External Identifiers | ChEMBL [CHEMBL1369384]; PubChem [1549026]; |
| Reference of Component-Ingredient Pair | 23449869 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH1592 | Origanum vulgare | Niu Zhi | 牛至 |
| TCMH160 | Piper cubeba | Bi Cheng Qie | 毕澄茄 |
| TCMH1609 | Eupatorium fortunei | Pei Lan | 佩兰 |
| TCMH1753 | Boswellia carterii | Ru Xiang | 乳香 |
Showing 1 to 10 of 41 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1239 | C12H20O2 | Geranyl Acetate | 196.15 | 2.7188 | 2.56 | 3.264 | 2 | 0 | 26.3 | 10 | 0 | 14 | 0 |
| TCMC1374 | C6H12O6 | Inositol | 180.06 | -3.0642 | 1.46 | -1.458 | 6 | 6 | 121.38 | 6 | 1 | 12 | 1 |
| TCMC1535 | C6H14O6 | Mannitol | 182.08 | -2.9402 | 1.46 | -3.896 | 6 | 6 | 121.38 | 11 | 0 | 12 | 1 |
| TCMC1956 | C7H6O4 | Protocatechuic Acid | 154.03 | -1.1604 | 1.79 | 0.536 | 2 | 3 | 77.76 | 4 | 1 | 11 | 0 |
| TCMC2166 | C10H14O | Thymol | 150.1 | 0.7546 | 2.45 | 3.556 | 0 | 1 | 20.23 | 5 | 1 | 11 | 0 |
| TCMC2186 | C30H62 | Triacontane | 422.49 | -7.9614 | 4.76 | 17.41 | 0 | 0 | 0 | 29 | 0 | 30 | 2 |
| TCMC2691 | C32H52O2 | Lupenyl Acetate | 468.4 | 3.6104 | 4.76 | 12.641 | 2 | 0 | 26.3 | 11 | 5 | 34 | 1 |
| TCMC598 | C21H22O4 | 9-[(2E)-3,7-Dimethylocta-2,6-Dienoxy]Furo[3,2-G]Chromen-7-One | 338.15 | 2.7618 | 3.33 | 4.713 | 1 | 0 | 48.67 | 9 | 3 | 25 | 0 |
| TCMC872 | C10H14O | Carvacrol | 150.1 | 0.7546 | 2.45 | 3.556 | 0 | 1 | 20.23 | 5 | 1 | 11 | 0 |
Showing 1 to 9 of 9 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
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