Description of the Component
Component ID |
TCMH2469 |
Latin Name |
Fritillaria pallidiflora |
English Name |
Siberian fritillary equivalent plant: fritillaria walujewii |
Chinese Pinyin Name |
Yi Bei Mu |
中文名 |
伊贝母 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
For desolving phlegm, stopping cougth, and soothing breathing |
Therapeutic Class Chinese |
化痰止咳平喘 |
Functions |
remove heat from the lung, resolve phlegm, and reduce nodules |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Xinjiang Uygur Autonomous Region |
Reference |
CFDA |
Barcode ID |
GBVP8310-15 |
Barcode Source |
BOLDSYSTEMS |
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT112 | ADORA3 | Adenosine A3 receptor | GPCR | P0DMS8 |
| TCMT160 | HTR7 | Serotonin 7 (5-HT7) receptor | GPCR | P34969 |
| TCMT261 | DAPK1 | Death-associated protein kinase 1 | Kinase | P53355 |
| TCMT281 | DPP4 | Dipeptidyl peptidase IV | Unclassified | P27487 |
| TCMT296 | ADORA1 | Adenosine A1 receptor | GPCR | P30542 |
| TCMT307 | KCNH2 | HERG | Ion channel | Q12809 |
| TCMT33 | CYP3A4 | Cytochrome P450 3A4 | Oxidoreductase | P08684 |
| TCMT34 | CYP2D6 | Cytochrome P450 2D6 | Oxidoreductase | P10635 |
| TCMT41 | IDH1 | Isocitrate dehydrogenase [NADP] cytoplasmic | Oxidoreductase | O75874 |
| TCMT423 | EGFR | Epidermal growth factor receptor erbB1 | Kinase | P00533 |
Showing 1 to 10 of 21 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1218 | Staphylococcus aureus |
| TCMT1246 | Escherichia coli |
| TCMT1294 | Human parainfluenza virus 3 |
| TCMT1412 | Salmonella typhimurium |
| TCMT1438 | Plasmodium falciparum |
| TCMT1463 | Mycobacterium tuberculosis |
| TCMT1465 | Entamoeba histolytica |
Showing 1 to 7 of 7 entries
Ingredient Structrues
Ingredient ID: TCMC978
Formula: C9H13N3O5
Ingredient ID: TCMC978
| Common Name | Cytidine |
| IUPAC Name | 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(=N)nc1O |
| Standard InCHI | InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1 |
| Standard InCHIKey | UHDGCWIWMRVCDJ-XVFCMESISA-N |
| External Identifiers | ChEMBL [CHEMBL95606]; PubChem [6175]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1626 | Fritillaria ussuriensis | Ping Bei Mu | 平贝母 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| 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 |
| TCMH1772 | Panax notoginseng | San Qi Hua | 三七花 |
Showing 1 to 10 of 21 entries
Ingredient ID: TCMC902
Formula: C27H46O
Ingredient ID: TCMC902
| Common Name | Cholesterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C)C |
| Standard InCHI | InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| Standard InCHIKey | HVYWMOMLDIMFJA-DPAQBDIFSA-N |
| External Identifiers | ChEMBL [CHEMBL112570]; PubChem [5997]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1554 | Rhododendron molle | Nao Yang Hua | 闹羊花 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH197 | Bombyx mori | Can E | 蚕蛾 |
| TCMH1987 | Silybum marianum | Shui Fei Ji | 水飞蓟 |
| TCMH200 | Bombyx mori | Can Jian | 蚕茧 |
| TCMH201 | Bombyx mori | Can Sha | 蚕砂 |
| TCMH202 | Bombyx mori | Can Yong | 蚕蛹 |
| TCMH2134 | Smilax glabra | Tu Fu Ling | 土茯苓 |
Showing 1 to 10 of 23 entries
Ingredient ID: TCMC801
Formula: C29H50O
Ingredient ID: TCMC801
| Common Name | Beta-Sitosterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | KZJWDPNRJALLNS-VJSFXXLFSA-N |
| External Identifiers | ChEMBL [CHEMBL221542]; PubChem [222284]; |
| Reference of Component-Ingredient Pair | 24130033 |
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 |
| TCMH1017 | Oxytropis myriophylla | Ji Dou | 棘豆 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
Showing 1 to 10 of 331 entries
Ingredient ID: TCMC7340
Formula: C27H43NO4
Ingredient ID: TCMC7340
| Common Name | Imperialine N-Oxide |
| IUPAC Name | (1R,2S,4R,6S,9S,10S,11R,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-oxido-4-azoniahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one |
| Canonical SMILES | O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@@H]1[C@H]2C[N@+]2([O-])C[C@@H](C)CC[C@H]2[C@@]1(C)O)C |
| Standard InCHI | InChI=1S/C27H43NO4/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25,32)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21+,22-,23+,25-,26+,27-,28+/m0/s1 |
| Standard InCHIKey | RTQDXHMAHWNJLQ-XDQGMKDOSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [124867809]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6365
Formula: C33H53NO7
Ingredient ID: TCMC6365
| Common Name | Yibeinoside A |
| IUPAC Name | (1R,2S,6S,9R,10R,11R,14S,15S,18S,20S,23R,24S)-6,10,23-trimethyl-20-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2)C(=O)C[C@@H]2[C@@H]3C[C@@H]3[C@H]2CC[C@@H]2[C@H]3C[NH+]3C[C@@H](C)CC[C@@H]3[C@@H]2C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C33H53NO7/c1-16-4-7-26-17(2)19-5-6-20-21(23(19)14-34(26)13-16)11-24-22(20)12-27(36)25-10-18(8-9-33(24,25)3)40-32-31(39)30(38)29(37)28(15-35)41-32/h16-26,28-32,35,37-39H,4-15H2,1-3H3/p+1/t16-,17+,18-,19-,20+,21+,22-,23+,24-,25+,26+,28+,29+,30-,31+,32+,33+/m0/s1 |
| Standard InCHIKey | BSSXNTZKMOAXRA-UKRRYWTHSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [21125917]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC632
Formula: C10H13N5O4
Ingredient ID: TCMC632
| Common Name | Adenosine |
| IUPAC Name | (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N |
| Standard InCHI | InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 |
| Standard InCHIKey | OIRDTQYFTABQOQ-KQYNXXCUSA-N |
| External Identifiers | ChEMBL [CHEMBL477]; PubChem [60961]; |
| 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 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1177 | Ilex cornuta | Ju Gu Ye | 枸骨叶 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
Showing 1 to 10 of 96 entries
Ingredient ID: TCMC4234
Formula: C27H41NO4
Ingredient ID: TCMC4234
| Common Name | Yibeissine |
| IUPAC Name | (3S,3'R,3'aS,4aS,6'S,6aS,6bS,7'aR,9R,11R,11aS,11bR)-3,11-dihydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,6,6a,6b,7,8,11,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-5-one |
| Canonical SMILES | O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2[C@@H](O)C2=C(C)[C@]3(CC[C@@H]12)O[C@H]1[C@H]([C@H]3C)[NH2+]C[C@H](C1)C)C |
| Standard InCHI | InChI=1S/C27H41NO4/c1-13-9-21-24(28-12-13)15(3)27(32-21)8-6-17-18-11-20(30)19-10-16(29)5-7-26(19,4)23(18)25(31)22(17)14(27)2/h13,15-19,21,23-25,28-29,31H,5-12H2,1-4H3/p+1/t13-,15+,16-,17-,18-,19+,21+,23+,24-,25-,26-,27-/m0/s1 |
| Standard InCHIKey | NURPXYQPDMVKOY-RUKZUWONSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [3083381]; |
| Reference of Component-Ingredient Pair | 1414366 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3933
Formula: C27H43NO3
Ingredient ID: TCMC3933
| Common Name | Imperialine |
| IUPAC Name | (1R,2S,6S,9S,10S,11R,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one |
| Canonical SMILES | O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@@H]1[C@H]2C[NH+]2C[C@@H](C)CC[C@H]2[C@@]1(C)O)C |
| Standard InCHI | InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/p+1/t15-,16-,17+,18+,19-,20-,21+,22-,23+,25-,26+,27-/m0/s1 |
| Standard InCHIKey | IQDIERHFZVCNRZ-LRCDAWNTSA-O |
| External Identifiers | ChEMBL [CHEMBL1623724]; PubChem [442977]; |
| Reference of Component-Ingredient Pair | 28832506 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3712
Formula: C33H53NO7
Ingredient ID: TCMC3712
| Common Name | Yibeinoside B |
| IUPAC Name | (1R,2S,6S,9S,10R,11R,14S,15S,18S,20S,23R,24S)-6,10,23-trimethyl-20-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2)C(=O)C[C@@H]2[C@@H]3C[C@@H]3[C@H]2CC[C@@H]2[C@H]3C[NH+]3C[C@@H](C)CC[C@H]3[C@@H]2C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C33H53NO7/c1-16-4-7-26-17(2)19-5-6-20-21(23(19)14-34(26)13-16)11-24-22(20)12-27(36)25-10-18(8-9-33(24,25)3)40-32-31(39)30(38)29(37)28(15-35)41-32/h16-26,28-32,35,37-39H,4-15H2,1-3H3/p+1/t16-,17+,18-,19-,20+,21+,22-,23+,24-,25+,26-,28+,29+,30-,31+,32+,33+/m0/s1 |
| Standard InCHIKey | BSSXNTZKMOAXRA-MXXYQIINSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [192465]; |
| Reference of Component-Ingredient Pair | 8368078 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3593
Formula: C27H41NO3
Ingredient ID: TCMC3593
| Common Name | Ebeiensine,Peimisine |
| IUPAC Name | (3S,3'R,3'aS,4aS,6'S,6aR,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,6,6a,6b,7,8,11,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-5-one |
| Canonical SMILES | O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2CC2=C(C)[C@]3(CC[C@@H]12)O[C@H]1[C@H]([C@H]3C)[NH2+]C[C@H](C1)C)C |
| Standard InCHI | InChI=1S/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3/p+1/t14-,16+,17-,18+,20-,21-,22+,24+,25-,26+,27-/m0/s1 |
| Standard InCHIKey | KYELXPJVGNZIGC-GKFGJCLESA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [161294]; |
| Reference of Component-Ingredient Pair | 28415020 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2421
Formula: C28H46O
Ingredient ID: TCMC2421
| Common Name | 3-Beta-Hydroxyergost-5,24(28)-Diene |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCC(=C)C(C)C)C)C)C1)C |
| Standard InCHI | InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1 |
| Standard InCHIKey | INDVLXYUCBVVKW-PXBBAZSNSA-N |
| External Identifiers | ChEMBL [CHEMBL477971]; PubChem [92113]; |
| Reference of Component-Ingredient Pair | 21895454 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1496 | Rhizoma dryopteris crassirhizomae | Mian Ma Guan Zhong | 绵马贯众 |
| TCMH1984 | Typhonium flagelliforme | Shui Ban Xia | 水半夏 |
| TCMH2134 | Smilax glabra | Tu Fu Ling | 土茯苓 |
| TCMH2469 | Fritillaria pallidiflora | Yi Bei Mu | 伊贝母 |
| TCMH859 | Ormosia hosiei | Hong Dou | 红豆 |
| TCMH943 | Rhizoma dioscoreae | Huai Shan Yao | 淮山药 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC2209
Formula: C9H12N2O6
Ingredient ID: TCMC2209
| Common Name | Uridine |
| IUPAC Name | 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)O |
| Standard InCHI | InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1 |
| Standard InCHIKey | DRTQHJPVMGBUCF-XVFCMESISA-N |
| External Identifiers | ChEMBL [CHEMBL100259]; PubChem [6029]; |
| Reference of Component-Ingredient Pair | 27469509 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1626 | Fritillaria ussuriensis | Ping Bei Mu | 平贝母 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Showing 1 to 10 of 45 entries
Ingredient ID: TCMC2165
Formula: C10H14N2O5
Ingredient ID: TCMC2165
| Common Name | Thymidine |
| IUPAC Name | 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione |
| Canonical SMILES | OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(nc1=O)O |
| Standard InCHI | InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 |
| Standard InCHIKey | IQFYYKKMVGJFEH-XLPZGREQSA-N |
| External Identifiers | ChEMBL [CHEMBL52609]; PubChem [5789]; |
| Reference of Component-Ingredient Pair | 22882409 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1626 | Fritillaria ussuriensis | Ping Bei Mu | 平贝母 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1894 | Pinellia ternata | Sheng Ban Xia | 生半夏 |
Showing 1 to 10 of 21 entries
Ingredient ID: TCMC2107
Formula: C29H48O
Ingredient ID: TCMC2107
| Common Name | Stigmasterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | HCXVJBMSMIARIN-PHZDYDNGSA-N |
| External Identifiers | ChEMBL [CHEMBL400247]; PubChem [5280794]; |
| Reference of Component-Ingredient Pair | 16261518 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 110 entries
Ingredient ID: TCMC1846
Formula: C15H10O5
Ingredient ID: TCMC1846
| Common Name | Pelargonidin |
| IUPAC Name | 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol |
| Canonical SMILES | Oc1ccc(cc1)c1[o+]c2cc(O)cc(c2cc1O)O |
| Standard InCHI | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-7H,(H3-,16,17,18,19)/p+1 |
| Standard InCHIKey | XVFMGWDSJLBXDZ-UHFFFAOYSA-O |
| External Identifiers | ChEMBL [CHEMBL1197905]; PubChem [440832]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1626 | Fritillaria ussuriensis | Ping Bei Mu | 平贝母 |
| TCMH2469 | Fritillaria pallidiflora | Yi Bei Mu | 伊贝母 |
| TCMH590 | Impatiens balsamina | Feng Xian Hua | 凤仙花 |
| TCMH591 | Impatiens balsamina | Feng Xian Tou Gu Cao | 凤仙透骨草 |
Showing 1 to 5 of 5 entries
Ingredient ID: TCMC1373
Formula: C10H12N4O5
Ingredient ID: TCMC1373
| Common Name | Inosine |
| IUPAC Name | 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2O |
| Standard InCHI | InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1 |
| Standard InCHIKey | UGQMRVRMYYASKQ-KQYNXXCUSA-N |
| External Identifiers | ChEMBL [CHEMBL1556]; PubChem [6021]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1036 | Spatholobus suberectus | Ji Xue Teng | 鸡血藤 |
| TCMH1037 | Spatholobus suberectus | Ji Xue Teng Gan Gao | 鸡血藤干膏 |
| TCMH1038 | Spatholobus suberectus | Ji Xue Teng Gao | 鸡血藤膏 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1626 | Fritillaria ussuriensis | Ping Bei Mu | 平贝母 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Showing 1 to 10 of 20 entries
Ingredient ID: TCMC1298
Formula: C10H13N5O5
Ingredient ID: TCMC1298
| Common Name | Guanosine |
| IUPAC Name | 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=N)nc2O |
| Standard InCHI | InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1 |
| Standard InCHIKey | NYHBQMYGNKIUIF-UUOKFMHZSA-N |
| External Identifiers | ChEMBL [CHEMBL375655]; PubChem [6802]; |
| Reference of Component-Ingredient Pair | N/A |
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 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1423 | Ophiopogon japonicus | Mai Dong | 麦冬 |
Showing 1 to 10 of 56 entries
Ingredient ID: TCMC1297
Formula: C5H5N5O
Ingredient ID: TCMC1297
| Common Name | Guanine |
| IUPAC Name | 2-amino-3,7-dihydropurin-6-one |
| Canonical SMILES | N=c1nc(O)c2c([nH]1)[nH]cn2 |
| Standard InCHI | InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11) |
| Standard InCHIKey | UYTPUPDQBNUYGX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL219568]; PubChem [764]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1626 | Fritillaria ussuriensis | Ping Bei Mu | 平贝母 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2261 | Fritillaria thunbergii | Xiang Bei | 象贝 |
| TCMH2469 | Fritillaria pallidiflora | Yi Bei Mu | 伊贝母 |
| TCMH2703 | Fritillaria unibracteata | Zi Bei Mu | 紫贝母 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH273 | Fritillaria cirrhosa | Chuan Bei Mu | 川贝母 |
| TCMH274 | Fritillaria cirrhosa | Chuan Bei Mu Liu Jin Gao | 川贝母流浸膏 |
Showing 1 to 10 of 12 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1297 | C5H5N5O | Guanine | 151.05 | -1.1064 | 1.35 | -0.498 | 6 | 4 | 97.15 | 1 | 2 | 11 | 0 |
| TCMC1298 | C10H13N5O5 | Guanosine | 283.09 | -2.2152 | 1.46 | -1.643 | 10 | 6 | 156.21 | 6 | 3 | 20 | 1 |
| TCMC1373 | C10H12N4O5 | Inosine | 268.08 | -1.9895 | 1.57 | -1.742 | 8 | 4 | 133.75 | 6 | 3 | 19 | 0 |
| TCMC1846 | C15H10O5 | Pelargonidin | 272.07 | -1.8412 | 2.56 | 1.276 | 1 | 5 | 80.92 | 5 | 3 | 20 | 0 |
| TCMC2107 | C29H48O | Stigmasterol | 412.37 | 1.2566 | 4.54 | 11.071 | 1 | 1 | 20.23 | 12 | 4 | 30 | 1 |
| TCMC2165 | C10H14N2O5 | Thymidine | 242.09 | -1.7707 | 1.79 | -1 | 7 | 3 | 102.59 | 6 | 2 | 17 | 0 |
| TCMC2209 | C9H12N2O6 | Uridine | 244.07 | -2.5465 | 1.57 | -1.782 | 8 | 4 | 122.82 | 6 | 2 | 17 | 0 |
| TCMC2421 | C28H46O | 3-Beta-Hydroxyergost-5,24(28)-Diene | 398.35 | 2.1615 | 4.43 | 10.105 | 1 | 1 | 20.23 | 11 | 4 | 29 | 1 |
| TCMC3593 | C27H41NO3 | Ebeiensine,Peimisine | 428.3164692 | -0.8556 | 3.99 | 2.736 | 3 | 2 | 63.14 | 0 | 6 | 31 | 0 |
| TCMC3712 | C33H53NO7 | Yibeinoside B | 576.3900281 | -4.557 | 4.21 | 3.865 | 7 | 5 | 120.89 | 3 | 7 | 41 | 0 |
Showing 1 to 10 of 18 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
→ Then click the download button.
