Description of the Component
Component ID |
TCMH1435 |
Latin Name |
Psychotria serpens |
English Name |
Creeping ninenode |
Chinese Pinyin Name |
Man Jiu Jie |
中文名 |
蔓九节 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
CFDA |
Barcode ID |
KX450395 |
Barcode Source |
GenBank |
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 |
| TCMT100 | TTR | Transthyretin | Unclassified | P02766 |
| TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT112 | ADORA3 | Adenosine A3 receptor | GPCR | P0DMS8 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| TCMT126 | TERT | Telomerase reverse transcriptase | Transferase | O14746 |
| TCMT127 | PARP1 | Poly [ADP-ribose] polymerase-1 | Transferase | P09874 |
| TCMT128 | TNKS2 | Tankyrase-2 | Transferase | Q9H2K2 |
| TCMT129 | TNKS | Tankyrase-1 | Transferase | O95271 |
Showing 1 to 10 of 133 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1090 | Human immunodeficiency virus type 1 integrase |
| TCMT1092 | Fatty acid synthase |
| TCMT1093 | Enoyl-acyl-carrier protein reductase |
| TCMT1094 | 3-oxoacyl-acyl-carrier protein reductase |
| TCMT1099 | Neuraminidase |
| TCMT1108 | Integrase |
| TCMT1109 | Reverse transcriptase |
| TCMT1121 | Sialidase |
| TCMT1136 | Neuraminidase |
| TCMT1178 | Actinomyces viscosus |
Showing 1 to 10 of 39 entries
Ingredient Structrues
Ingredient ID: TCMC710
Formula: C15H10O5
Ingredient ID: TCMC710
| Common Name | Apigenin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H |
| Standard InCHIKey | KZNIFHPLKGYRTM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL28]; PubChem [5280443]; |
| Reference of Component-Ingredient Pair | 29162470 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| 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 |
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 159 entries
Ingredient ID: TCMC639
Formula: C21H20O10
Ingredient ID: TCMC639
| Common Name | Afzelin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O |
| Standard InCHI | InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1 |
| Standard InCHIKey | SOSLMHZOJATCCP-AEIZVZFYSA-N |
| External Identifiers | ChEMBL [CHEMBL240528]; PubChem [5316673]; |
| Reference of Component-Ingredient Pair | 22667148 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1114 | Herba glechomae longitubae | Jin Qian Cao | 金钱草 |
| TCMH1435 | Psychotria serpens | Man Jiu Jie | 蔓九节 |
| TCMH1525 | Crassostrea gigas | Mu Li | 牡蛎 |
| TCMH1615 | Eriobotrya japonica | Pi Ba Ren | 枇杷仁 |
| TCMH1683 | Canarium album | Qing Guo | 青果 |
| TCMH1686 | Canarium album | Qing Guo Tan | 青果炭 |
| TCMH1830 | Anisodus tanguticus | Shan Lang Dang | 山莨菪 |
| TCMH209 | Anisodus tanguticus | Cang Qie Gen | 藏茄根 |
| TCMH2220 | Lespedeza virgata | Xi Geng Hu Zhi Zi | 细梗胡枝子 |
| TCMH2545 | Houttuynia cordata | Yu Xing Cao | 鱼腥草 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC2823
Formula: C25H20O9
Ingredient ID: TCMC2823
| Common Name | Rel-Hydnocarpin |
| IUPAC Name | 5,7-dihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one |
| Canonical SMILES | OC[C@H]1Oc2cc(ccc2O[C@@H]1c1ccc(c(c1)OC)O)c1cc(=O)c2c(o1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C25H20O9/c1-31-20-7-13(2-4-15(20)28)25-23(11-26)33-21-6-12(3-5-18(21)34-25)19-10-17(30)24-16(29)8-14(27)9-22(24)32-19/h2-10,23,25-29H,11H2,1H3/t23-,25-/m1/s1 |
| Standard InCHIKey | NMICSFNNFDNGEL-ILBGXUMGSA-N |
| External Identifiers | ChEMBL [CHEMBL91638]; PubChem [11213425]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2662
Formula: C26H22O10
Ingredient ID: TCMC2662
| Common Name | 5,7-Dihydroxy-2-[2-(4-Hydroxy-3,5-Dimethoxy-Phenyl)-3-Hydroxymethyl-2,3-Dihydro-Benzo[1,4]Dioxin-6-Yl]-Chromen-4-One |
| IUPAC Name | 5,7-dihydroxy-2-[(2R,3R)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one |
| Canonical SMILES | OC[C@H]1Oc2cc(ccc2O[C@@H]1c1cc(OC)c(c(c1)OC)O)c1cc(=O)c2c(o1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C26H22O10/c1-32-21-6-13(7-22(33-2)25(21)31)26-23(11-27)35-19-5-12(3-4-17(19)36-26)18-10-16(30)24-15(29)8-14(28)9-20(24)34-18/h3-10,23,26-29,31H,11H2,1-2H3/t23-,26-/m1/s1 |
| Standard InCHIKey | LWFJEGQUKUEIRY-ZEQKJWHPSA-N |
| External Identifiers | ChEMBL [CHEMBL88957]; PubChem [10791345]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2394
Formula: C25H20O9
Ingredient ID: TCMC2394
| Common Name | Hydnocarpin |
| IUPAC Name | 5,7-dihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one |
| Canonical SMILES | OC[C@H]1Oc2ccc(cc2O[C@@H]1c1ccc(c(c1)OC)O)c1cc(=O)c2c(o1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C25H20O9/c1-31-20-7-13(2-4-15(20)28)25-23(11-26)32-18-5-3-12(6-21(18)34-25)19-10-17(30)24-16(29)8-14(27)9-22(24)33-19/h2-10,23,25-29H,11H2,1H3/t23-,25-/m1/s1 |
| Standard InCHIKey | ZYWKQKQEAVWKHD-ILBGXUMGSA-N |
| External Identifiers | ChEMBL [CHEMBL89401]; PubChem [11431204]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2367
Formula: C27H24O11
Ingredient ID: TCMC2367
| Common Name | Palstatin |
| IUPAC Name | 5,7-dihydroxy-2-[(2R,3R)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]chromen-4-one |
| Canonical SMILES | OC[C@H]1Oc2c(OC)cc(cc2O[C@@H]1c1cc(OC)c(c(c1)OC)O)c1cc(=O)c2c(o1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C27H24O11/c1-33-19-6-13(7-20(34-2)25(19)32)26-23(11-28)38-27-21(35-3)4-12(5-22(27)37-26)17-10-16(31)24-15(30)8-14(29)9-18(24)36-17/h4-10,23,26,28-30,32H,11H2,1-3H3/t23-,26-/m1/s1 |
| Standard InCHIKey | KIEFQALNZCXSHH-ZEQKJWHPSA-N |
| External Identifiers | ChEMBL [CHEMBL523569]; PubChem [5323578]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2337
Formula: C26H22O10
Ingredient ID: TCMC2337
| Common Name | 5'-Methoxyhydnocarpin D |
| IUPAC Name | 5,7-dihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]chromen-4-one |
| Canonical SMILES | OC[C@H]1Oc2c(OC)cc(cc2O[C@@H]1c1ccc(c(c1)OC)O)c1cc(=O)c2c(o1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C26H22O10/c1-32-19-5-12(3-4-15(19)29)25-23(11-27)36-26-21(33-2)6-13(7-22(26)35-25)18-10-17(31)24-16(30)8-14(28)9-20(24)34-18/h3-10,23,25,27-30H,11H2,1-2H3/t23-,25-/m1/s1 |
| Standard InCHIKey | NIOAGUZTTGFPGK-ILBGXUMGSA-N |
| External Identifiers | ChEMBL [CHEMBL328060]; PubChem [5281879]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2325
Formula: C21H20O11
Ingredient ID: TCMC2325
| Common Name | Trifolin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1 |
| Standard InCHIKey | JPUKWEQWGBDDQB-DTGCRPNFSA-N |
| External Identifiers | ChEMBL [CHEMBL453290]; PubChem [5282149]; |
| Reference of Component-Ingredient Pair | 17072829 |
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 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1435 | Psychotria serpens | Man Jiu Jie | 蔓九节 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC2188
Formula: C17H14O7
Ingredient ID: TCMC2188
| Common Name | Tricin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1cc(cc(c1O)OC)c1cc(=O)c2c(o1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3 |
| Standard InCHIKey | HRGUSFBJBOKSML-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL454320]; PubChem [5281702]; |
| Reference of Component-Ingredient Pair | 22983843 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1435 | Psychotria serpens | Man Jiu Jie | 蔓九节 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
| TCMH1538 | Baphicacanthus cusia | Nan Ban Lan Gen Jin Gao Fen | 南板蓝根浸膏粉 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
Showing 1 to 10 of 40 entries
Ingredient ID: TCMC1986
Formula: C21H20O11
Ingredient ID: TCMC1986
| Common Name | Quercitrin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1 |
| Standard InCHIKey | OXGUCUVFOIWWQJ-HQBVPOQASA-N |
| External Identifiers | ChEMBL [CHEMBL82242]; PubChem [5280459]; |
| Reference of Component-Ingredient Pair | 24685503 |
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 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1247 | Geranium wilfordii | Lao Guan Cao | 老鹳草 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
Showing 1 to 10 of 63 entries
Ingredient ID: TCMC1982
Formula: C15H10O7
Ingredient ID: TCMC1982
| Common Name | Quercetin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H |
| Standard InCHIKey | REFJWTPEDVJJIY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL50]; PubChem [5280343]; |
| Reference of Component-Ingredient Pair | 26766292 |
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 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| 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 |
Showing 1 to 10 of 278 entries
Ingredient ID: TCMC1516
Formula: C15H10O6
Ingredient ID: TCMC1516
| Common Name | Luteolin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H |
| Standard InCHIKey | IQPNAANSBPBGFQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL151]; PubChem [5280445]; |
| Reference of Component-Ingredient Pair | 23122135 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Showing 1 to 10 of 140 entries
Ingredient ID: TCMC1495
Formula: C18H32O2
Ingredient ID: TCMC1495
| Common Name | Linoleic Acid |
| IUPAC Name | (9Z,12Z)-octadeca-9,12-dienoic acid |
| Canonical SMILES | CCCCC/C=CC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- |
| Standard InCHIKey | OYHQOLUKZRVURQ-HZJYTTRNSA-N |
| External Identifiers | ChEMBL [CHEMBL267476]; PubChem [5280450]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
Showing 1 to 10 of 216 entries
Ingredient ID: TCMC1429
Formula: C15H10O6
Ingredient ID: TCMC1429
| Common Name | Kaempferol |
| IUPAC Name | 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O |
| Standard InCHI | InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H |
| Standard InCHIKey | IYRMWMYZSQPJKC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL150]; PubChem [5280863]; |
| Reference of Component-Ingredient Pair | 29162470 |
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 |
| TCMH103 | Thesium chinense | Bai Rui Cao | 百蕊草 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| 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 188 entries
Ingredient ID: TCMC1360
Formula: C33H40O15
Ingredient ID: TCMC1360
| Common Name | Icariin |
| IUPAC Name | 5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one |
| Canonical SMILES | COc1ccc(cc1)c1oc2c(CC=C(C)C)c(O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O |
| Standard InCHI | InChI=1S/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26-,27+,28+,32-,33+/m0/s1 |
| Standard InCHIKey | TZJALUIVHRYQQB-XLRXWWTNSA-N |
| External Identifiers | ChEMBL [CHEMBL553204]; PubChem [5318997]; |
| Reference of Component-Ingredient Pair | 22217555 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1435 | Psychotria serpens | Man Jiu Jie | 蔓九节 |
| TCMH2507 | Epimedium brevicornum | Yin Yang Huo | 淫羊藿 |
| TCMH2508 | Epimedium brevicornum | Yin Yang Huo Gan Gao Fen | 淫羊藿干膏粉 |
| TCMH2509 | Epimedium brevicornum | Yin Yang Huo Jin Gao | 淫羊藿浸膏 |
| TCMH315 | Psychotria serpens | Chun Gen Teng | 春根藤 |
Showing 1 to 5 of 5 entries
Ingredient ID: TCMC1356
Formula: C21H20O12
Ingredient ID: TCMC1356
| Common Name | Hyperoside |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1 |
| Standard InCHIKey | OVSQVDMCBVZWGM-DTGCRPNFSA-N |
| External Identifiers | ChEMBL [CHEMBL251254]; PubChem [5281643]; |
| Reference of Component-Ingredient Pair | 27019979 |
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 |
| TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
| TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
| 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 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
Showing 1 to 10 of 102 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1356 | C21H20O12 | Hyperoside | 464.1 | -4.8921 | 2.45 | -0.354 | 7 | 8 | 206.6 | 12 | 4 | 33 | 1 |
| TCMC1360 | C33H40O15 | Icariin | 676.24 | -3.3928 | 3.44 | 1.764 | 11 | 8 | 234.29 | 21 | 5 | 48 | 2 |
| TCMC1429 | C15H10O6 | Kaempferol | 286.05 | -2.3409 | 2.45 | 1.915 | 2 | 4 | 107.22 | 5 | 3 | 21 | 0 |
| TCMC1495 | C18H32O2 | Linoleic Acid | 280.24 | -0.9485 | 3.22 | 7.865 | 2 | 1 | 37.3 | 16 | 0 | 20 | 2 |
| TCMC1516 | C15H10O6 | Luteolin | 286.05 | -2.3448 | 2.45 | 1.033 | 1 | 4 | 107.22 | 5 | 3 | 21 | 0 |
| TCMC1982 | C15H10O7 | Quercetin | 302.04 | -2.8012 | 2.34 | 1.381 | 2 | 5 | 127.45 | 6 | 3 | 22 | 0 |
| TCMC1986 | C21H20O11 | Quercitrin | 448.1 | -4.3921 | 2.56 | 0.349 | 6 | 7 | 186.37 | 11 | 4 | 32 | 1 |
| TCMC2188 | C17H14O7 | Tricin | 330.07 | -1.9881 | 2.56 | 0.679 | 1 | 3 | 105.45 | 8 | 3 | 24 | 0 |
| TCMC2325 | C21H20O11 | Trifolin | 448.1 | -4.4318 | 2.56 | 0.18 | 7 | 7 | 186.37 | 11 | 4 | 32 | 1 |
| TCMC2337 | C26H22O10 | 5'-Methoxyhydnocarpin D | 494.12 | -2.8458 | 3.22 | 1.221 | 2 | 4 | 144.14 | 11 | 5 | 36 | 0 |
Showing 1 to 10 of 16 entries
Download Data
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