Description of the Component
Component ID |
TCMH2207 |
Latin Name |
Schisandra sphenanthera |
English Name |
longpeduncle kadsura stem |
Chinese Pinyin Name |
Wu Xiang Xue Teng |
中文名 |
五香血藤 |
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 |
GBVG2276-11, CPBOL3885-11 |
Barcode Source |
BOLDSYSTEMS |
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 |
| 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 |
Showing 1 to 10 of 16 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1175 | Human immunodeficiency virus |
| TCMT1181 | Mycobacterium tuberculosis H37Ra |
| TCMT1218 | Staphylococcus aureus |
| TCMT1246 | Escherichia coli |
| TCMT1251 | Candida albicans |
| TCMT1255 | Human immunodeficiency virus 1 |
| TCMT1454 | Bacillus subtilis |
| TCMT1463 | Mycobacterium tuberculosis |
Showing 1 to 8 of 8 entries
Ingredient Structrues
Ingredient ID: TCMC923
Formula: C6H8O7
Ingredient ID: TCMC923
| Common Name | Citric Acid |
| IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid |
| Canonical SMILES | OC(=O)C(CC(=O)O)(CC(=O)O)O |
| Standard InCHI | InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| Standard InCHIKey | KRKNYBCHXYNGOX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1261]; PubChem [311]; |
| Reference of Component-Ingredient Pair | 27765674 |
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 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1162 | Sarcandra glabra | Jiu Jie Cha | 九节茶 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
Showing 1 to 10 of 66 entries
Ingredient ID: TCMC790
Formula: C23H28O7
Ingredient ID: TCMC790
| Common Name | Besigomsin |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2C[C@](C)(O)[C@@H](C)Cc3c(c2c(c1OC)OC)c(OC)c1c(c3)OCO1 |
| Standard InCHI | InChI=1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3/t12-,23-/m0/s1 |
| Standard InCHIKey | ZWRRJEICIPUPHZ-MYODQAERSA-N |
| External Identifiers | ChEMBL [CHEMBL403578]; PubChem [3001662]; |
| Reference of Component-Ingredient Pair | 21927855 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2203 | Schisandra chinensis | Wu Wei Zi Chun Jin Gao | 五味子醇浸膏 |
| TCMH2204 | Schisandra chinensis | Wu Wei Zi Jin Chu Wu | 五味子浸出物 |
| TCMH2205 | Schisandra chinensis | Wu Wei Zi Jin Gao | 五味子浸膏 |
| TCMH2206 | Schisandra chinensis | Wu Wei Zi Liu Jin Gao | 五味子流浸膏 |
| TCMH2207 | Schisandra sphenanthera | Wu Xiang Xue Teng | 五香血藤 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC750
Formula: C20H24O4
Ingredient ID: TCMC750
| Common Name | Austrobailignan 6 |
| IUPAC Name | 4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol |
| Canonical SMILES | COc1cc(ccc1O)C[C@@H]([C@@H](Cc1ccc2c(c1)OCO2)C)C |
| Standard InCHI | InChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3/t13-,14+/m0/s1 |
| Standard InCHIKey | QDDILOVMGWUNGD-UONOGXRCSA-N |
| External Identifiers | ChEMBL [CHEMBL254071]; PubChem [10404245]; |
| Reference of Component-Ingredient Pair | 18704340 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1741 | Myristica fragrans | Rou Dou Kou | 肉豆蔻 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2203 | Schisandra chinensis | Wu Wei Zi Chun Jin Gao | 五味子醇浸膏 |
| TCMH2204 | Schisandra chinensis | Wu Wei Zi Jin Chu Wu | 五味子浸出物 |
| TCMH2205 | Schisandra chinensis | Wu Wei Zi Jin Gao | 五味子浸膏 |
| TCMH2206 | Schisandra chinensis | Wu Wei Zi Liu Jin Gao | 五味子流浸膏 |
| TCMH2207 | Schisandra sphenanthera | Wu Xiang Xue Teng | 五香血藤 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC69
Formula: C4H6O5
Ingredient ID: TCMC69
| Common Name | (2R)-2-Hydroxybutanedioic Acid |
| IUPAC Name | (2R)-2-hydroxybutanedioic acid |
| Canonical SMILES | OC(=O)C[C@H](C(=O)O)O |
| Standard InCHI | InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1 |
| Standard InCHIKey | BJEPYKJPYRNKOW-UWTATZPHSA-N |
| External Identifiers | ChEMBL [CHEMBL225986]; PubChem [92824]; |
| 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 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1661 | Rhizoma homalomenae occultae | Qian Nian Jian | 千年健 |
Showing 1 to 10 of 36 entries
Ingredient ID: TCMC2692
Formula: C16H16O4
Ingredient ID: TCMC2692
| Common Name | Deoxyshikonin |
| IUPAC Name | 5,8-dihydroxy-2-(4-methylpent-3-enyl)naphthalene-1,4-dione |
| Canonical SMILES | CC(=CCCC1=CC(=O)c2c(C1=O)c(O)ccc2O)C |
| Standard InCHI | InChI=1S/C16H16O4/c1-9(2)4-3-5-10-8-13(19)14-11(17)6-7-12(18)15(14)16(10)20/h4,6-8,17-18H,3,5H2,1-2H3 |
| Standard InCHIKey | VOMDIEGPEURZJO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL486627]; PubChem [98914]; |
| Reference of Component-Ingredient Pair | 24974168 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2203 | Schisandra chinensis | Wu Wei Zi Chun Jin Gao | 五味子醇浸膏 |
| TCMH2204 | Schisandra chinensis | Wu Wei Zi Jin Chu Wu | 五味子浸出物 |
| TCMH2205 | Schisandra chinensis | Wu Wei Zi Jin Gao | 五味子浸膏 |
| TCMH2206 | Schisandra chinensis | Wu Wei Zi Liu Jin Gao | 五味子流浸膏 |
| TCMH2207 | Schisandra sphenanthera | Wu Xiang Xue Teng | 五香血藤 |
| TCMH2315 | Arnebia euchroma | Xin Jiang Zi Cao | 新疆紫草 |
| TCMH2706 | Lithospermum erythrorhizon | Zi Cao | 紫草 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC2645
Formula: C22H24O6
Ingredient ID: TCMC2645
| Common Name | Schisandrin C |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c2c(C[C@H](C)[C@@H](Cc3c2c(OC)c2c(c3)OCO2)C)cc2c1OCO2 |
| Standard InCHI | InChI=1S/C22H24O6/c1-11-5-13-7-15-19(27-9-25-15)21(23-3)17(13)18-14(6-12(11)2)8-16-20(22(18)24-4)28-10-26-16/h7-8,11-12H,5-6,9-10H2,1-4H3/t11-,12+ |
| Standard InCHIKey | HTBWBWWADZJXID-TXEJJXNPSA-N |
| External Identifiers | ChEMBL [CHEMBL437412]; PubChem [443027]; |
| Reference of Component-Ingredient Pair | 25895389 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2203 | Schisandra chinensis | Wu Wei Zi Chun Jin Gao | 五味子醇浸膏 |
| TCMH2204 | Schisandra chinensis | Wu Wei Zi Jin Chu Wu | 五味子浸出物 |
| TCMH2205 | Schisandra chinensis | Wu Wei Zi Jin Gao | 五味子浸膏 |
| TCMH2206 | Schisandra chinensis | Wu Wei Zi Liu Jin Gao | 五味子流浸膏 |
| TCMH2207 | Schisandra sphenanthera | Wu Xiang Xue Teng | 五香血藤 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC2609
Formula: C23H28O6
Ingredient ID: TCMC2609
| Common Name | Kadsuranin |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2C[C@H](C)[C@H](C)Cc3c(c2c(c1OC)OC)c(OC)c1c(c3)OCO1 |
| Standard InCHI | InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3/t12-,13+/m0/s1 |
| Standard InCHIKey | RTZKSTLPRTWFEV-QWHCGFSZSA-N |
| External Identifiers | ChEMBL [CHEMBL513752]; PubChem [174277]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2203 | Schisandra chinensis | Wu Wei Zi Chun Jin Gao | 五味子醇浸膏 |
| TCMH2204 | Schisandra chinensis | Wu Wei Zi Jin Chu Wu | 五味子浸出物 |
| TCMH2205 | Schisandra chinensis | Wu Wei Zi Jin Gao | 五味子浸膏 |
| TCMH2206 | Schisandra chinensis | Wu Wei Zi Liu Jin Gao | 五味子流浸膏 |
| TCMH2207 | Schisandra sphenanthera | Wu Xiang Xue Teng | 五香血藤 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC2608
Formula: C15H14O5
Ingredient ID: TCMC2608
| Common Name | Greveichromenol |
| IUPAC Name | 5-hydroxy-8-(hydroxymethyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one |
| Canonical SMILES | OCc1cc(=O)c2c(o1)cc1c(c2O)C=CC(O1)(C)C |
| Standard InCHI | InChI=1S/C15H14O5/c1-15(2)4-3-9-11(20-15)6-12-13(14(9)18)10(17)5-8(7-16)19-12/h3-6,16,18H,7H2,1-2H3 |
| Standard InCHIKey | MJSXHUBIQAPDNC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL2204368]; PubChem [71450427]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2515
Formula: C27H30O9
Ingredient ID: TCMC2515
| Common Name | Interiotherin B |
| IUPAC Name | n.a. |
| Canonical SMILES | C/C=C(C(=O)O[C@H]1c2cc3OCOc3c(c2c2c(C[C@@H]([C@]1(C)O)C)cc1c(c2OC)OCO1)OC)/C |
| Standard InCHI | InChI=1S/C27H30O9/c1-7-13(2)26(28)36-25-16-10-18-22(35-12-33-18)24(31-6)20(16)19-15(8-14(3)27(25,4)29)9-17-21(23(19)30-5)34-11-32-17/h7,9-10,14,25,29H,8,11-12H2,1-6H3/b13-7-/t14-,25-,27-/m0/s1 |
| Standard InCHIKey | KIOQRWNZGHZFHB-UFZBKZSQSA-N |
| External Identifiers | ChEMBL [CHEMBL490161]; PubChem [20839677]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2505
Formula: C29H28O8
Ingredient ID: TCMC2505
| Common Name | Interiotherin A |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c2OCOc2cc2c1c1c(C[C@@H]([C@@H]([C@H]2OC(=O)c2ccccc2)C)C)cc2c(c1OC)OCO2 |
| Standard InCHI | InChI=1S/C29H28O8/c1-15-10-18-11-20-25(35-13-33-20)27(31-3)22(18)23-19(12-21-26(28(23)32-4)36-14-34-21)24(16(15)2)37-29(30)17-8-6-5-7-9-17/h5-9,11-12,15-16,24H,10,13-14H2,1-4H3/t15-,16-,24+/m0/s1 |
| Standard InCHIKey | MBGKPRSARHEFAG-CCHLGUQTSA-N |
| External Identifiers | ChEMBL [CHEMBL484669]; PubChem [21125391]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2480
Formula: C16H18O4
Ingredient ID: TCMC2480
| Common Name | Peucin-7-Methyl Ether |
| IUPAC Name | 5-hydroxy-7-methoxy-2-methyl-6-(3-methylbut-2-enyl)chromen-4-one |
| Canonical SMILES | COc1cc2oc(C)cc(=O)c2c(c1CC=C(C)C)O |
| Standard InCHI | InChI=1S/C16H18O4/c1-9(2)5-6-11-13(19-4)8-14-15(16(11)18)12(17)7-10(3)20-14/h5,7-8,18H,6H2,1-4H3 |
| Standard InCHIKey | ACFZPAPMLYYOCT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL2164956]; PubChem [615800]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2439
Formula: C15H18O2
Ingredient ID: TCMC2439
| Common Name | Dehydrocostuslactone |
| IUPAC Name | (3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one |
| Canonical SMILES | C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@H]1[C@@H]2C(=C)CC1 |
| Standard InCHI | InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1 |
| Standard InCHIKey | NETSQGRTUNRXEO-XUXIUFHCSA-N |
| External Identifiers | ChEMBL [CHEMBL88985]; PubChem [73174]; |
| Reference of Component-Ingredient Pair | 21624443 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1507 | Commiphora myrrha | Mo Xiang | 没香 |
| TCMH1508 | Commiphora myrrha | Mo Yao | 没药 |
| TCMH1533 | Saussurea lappa | Mu Xiang | 木香 |
| TCMH2207 | Schisandra sphenanthera | Wu Xiang Xue Teng | 五香血藤 |
| TCMH2538 | Zea mays | Yu Mi Xu | 玉米须 |
| TCMH288 | Vladimiria souliei | Chuan Mu Xiang | 川木香 |
| TCMH736 | Radix aucklandiae | Guang Mu Xiang | 广木香 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2333
Formula: C30H32O9
Ingredient ID: TCMC2333
| Common Name | Gomisin G |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c2OCOc2cc2c1c1c(C[C@@H]([C@]([C@H]2OC(=O)c2ccccc2)(C)O)C)cc(c(c1OC)OC)OC |
| Standard InCHI | InChI=1S/C30H32O9/c1-16-12-18-13-20(33-3)24(34-4)26(35-5)22(18)23-19(14-21-25(27(23)36-6)38-15-37-21)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3/t16-,28-,30-/m0/s1 |
| Standard InCHIKey | OFDWKHIQKPKRKY-DSASHONVSA-N |
| External Identifiers | ChEMBL [CHEMBL515928]; PubChem [14992067]; |
| Reference of Component-Ingredient Pair | 15893434 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2203 | Schisandra chinensis | Wu Wei Zi Chun Jin Gao | 五味子醇浸膏 |
| TCMH2204 | Schisandra chinensis | Wu Wei Zi Jin Chu Wu | 五味子浸出物 |
| TCMH2205 | Schisandra chinensis | Wu Wei Zi Jin Gao | 五味子浸膏 |
| TCMH2206 | Schisandra chinensis | Wu Wei Zi Liu Jin Gao | 五味子流浸膏 |
| TCMH2207 | Schisandra sphenanthera | Wu Xiang Xue Teng | 五香血藤 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC2329
Formula: C29H28O9
Ingredient ID: TCMC2329
| Common Name | Schisantherin D |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c2OCOc2cc2c1c1c(C[C@@H]([C@]([C@H]2OC(=O)c2ccccc2)(C)O)C)cc2c(c1OC)OCO2 |
| Standard InCHI | InChI=1S/C29H28O9/c1-15-10-17-11-19-23(36-13-34-19)25(32-3)21(17)22-18(12-20-24(26(22)33-4)37-14-35-20)27(29(15,2)31)38-28(30)16-8-6-5-7-9-16/h5-9,11-12,15,27,31H,10,13-14H2,1-4H3/t15-,27-,29-/m0/s1 |
| Standard InCHIKey | PGEJVRVFUGSAJF-SSEZWIOCSA-N |
| External Identifiers | ChEMBL [CHEMBL475880]; PubChem [163067]; |
| Reference of Component-Ingredient Pair | 26685855 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2203 | Schisandra chinensis | Wu Wei Zi Chun Jin Gao | 五味子醇浸膏 |
| TCMH2204 | Schisandra chinensis | Wu Wei Zi Jin Chu Wu | 五味子浸出物 |
| TCMH2205 | Schisandra chinensis | Wu Wei Zi Jin Gao | 五味子浸膏 |
| TCMH2206 | Schisandra chinensis | Wu Wei Zi Liu Jin Gao | 五味子流浸膏 |
| TCMH2207 | Schisandra sphenanthera | Wu Xiang Xue Teng | 五香血藤 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC2228
Formula: C9H10O4
Ingredient ID: TCMC2228
| Common Name | Veratric Acid |
| IUPAC Name | 3,4-dimethoxybenzoic acid |
| Canonical SMILES | COc1cc(ccc1OC)C(=O)O |
| Standard InCHI | InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11) |
| Standard InCHIKey | DAUAQNGYDSHRET-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL118903]; PubChem [7121]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1114 | Herba glechomae longitubae | Jin Qian Cao | 金钱草 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1856 | Gardenia jasminoides | Shan Zhi | 山栀 |
| TCMH2207 | Schisandra sphenanthera | Wu Xiang Xue Teng | 五香血藤 |
| TCMH2641 | Gardenia jasminoides | Zhi Zi | 栀子 |
| TCMH2642 | Gardenia jasminoides | Zhi Zi Jin Gao | 栀子浸膏 |
| TCMH327 | Eleutherococcus senticosus | Ci Wu Jia | 刺五加 |
| TCMH328 | Eleutherococcus senticosus | Ci Wu Jia Gao | 刺五加膏 |
| TCMH329 | Eleutherococcus senticosus | Ci Wu Jia Jin Gao | 刺五加浸膏 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC2049
Formula: C23H30O6
Ingredient ID: TCMC2049
| Common Name | Schisanhenol |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2C[C@H](C)[C@H](C)Cc3c(c2c(c1OC)O)c(OC)c(c(c3)OC)OC |
| Standard InCHI | InChI=1S/C23H30O6/c1-12-8-14-10-16(25-3)21(27-5)20(24)18(14)19-15(9-13(12)2)11-17(26-4)22(28-6)23(19)29-7/h10-13,24H,8-9H2,1-7H3/t12-,13+/m0/s1 |
| Standard InCHIKey | FYSHYFPJBONYCQ-QWHCGFSZSA-N |
| External Identifiers | ChEMBL [CHEMBL490125]; PubChem [73057]; |
| Reference of Component-Ingredient Pair | 26626254 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2203 | Schisandra chinensis | Wu Wei Zi Chun Jin Gao | 五味子醇浸膏 |
| TCMH2204 | Schisandra chinensis | Wu Wei Zi Jin Chu Wu | 五味子浸出物 |
| TCMH2205 | Schisandra chinensis | Wu Wei Zi Jin Gao | 五味子浸膏 |
| TCMH2206 | Schisandra chinensis | Wu Wei Zi Liu Jin Gao | 五味子流浸膏 |
| TCMH2207 | Schisandra sphenanthera | Wu Xiang Xue Teng | 五香血藤 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC2048
Formula: C23H28O6
Ingredient ID: TCMC2048
| Common Name | Schisandrin B |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2CC(C)C(C)Cc3c(c2c(c1OC)OC)c(OC)c1c(c3)OCO1 |
| Standard InCHI | InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3 |
| Standard InCHIKey | RTZKSTLPRTWFEV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL479488]; PubChem [108130]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH151 | Rosmarinus officinalis | Bei Wu Wei | 北五味 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1839 | Panax ginseng | Shan Shen | 山参 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2203 | Schisandra chinensis | Wu Wei Zi Chun Jin Gao | 五味子醇浸膏 |
| TCMH2204 | Schisandra chinensis | Wu Wei Zi Jin Chu Wu | 五味子浸出物 |
| TCMH2205 | Schisandra chinensis | Wu Wei Zi Jin Gao | 五味子浸膏 |
| TCMH2206 | Schisandra chinensis | Wu Wei Zi Liu Jin Gao | 五味子流浸膏 |
| TCMH2207 | Schisandra sphenanthera | Wu Xiang Xue Teng | 五香血藤 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC2047
Formula: C24H32O6
Ingredient ID: TCMC2047
| Common Name | Schisandrin A |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c2c(C[C@H](C)[C@@H](Cc3c2c(OC)c(c(c3)OC)OC)C)cc(c1OC)OC |
| Standard InCHI | InChI=1S/C24H32O6/c1-13-9-15-11-17(25-3)21(27-5)23(29-7)19(15)20-16(10-14(13)2)12-18(26-4)22(28-6)24(20)30-8/h11-14H,9-10H2,1-8H3/t13-,14+ |
| Standard InCHIKey | JEJFTTRHGBKKEI-OKILXGFUSA-N |
| External Identifiers | ChEMBL [CHEMBL253908]; PubChem [155256]; |
| Reference of Component-Ingredient Pair | 18270702 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2203 | Schisandra chinensis | Wu Wei Zi Chun Jin Gao | 五味子醇浸膏 |
| TCMH2204 | Schisandra chinensis | Wu Wei Zi Jin Chu Wu | 五味子浸出物 |
| TCMH2205 | Schisandra chinensis | Wu Wei Zi Jin Gao | 五味子浸膏 |
| TCMH2206 | Schisandra chinensis | Wu Wei Zi Liu Jin Gao | 五味子流浸膏 |
| TCMH2207 | Schisandra sphenanthera | Wu Xiang Xue Teng | 五香血藤 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC1907
Formula: C8H6O4
Ingredient ID: TCMC1907
| Common Name | Piperonylic Acid |
| IUPAC Name | 1,3-benzodioxole-5-carboxylic acid |
| Canonical SMILES | OC(=O)c1ccc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10) |
| Standard InCHIKey | VDVJGIYXDVPQLP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL573781]; PubChem [7196]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1572
Formula: C10H10O4
Ingredient ID: TCMC1572
| Common Name | Methylcaffeate |
| IUPAC Name | methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Canonical SMILES | COC(=O)/C=C/c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+ |
| Standard InCHIKey | OCNYGKNIVPVPPX-HWKANZROSA-N |
| External Identifiers | ChEMBL [CHEMBL17001]; PubChem [689075]; |
| Reference of Component-Ingredient Pair | 24293730 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1483 | Tussilago farfara | Mi Kuan Dong Hua | 蜜款冬花 |
| TCMH1632 | Taraxacum mongolicum | Pu Gong Ying | 蒲公英 |
| TCMH1633 | Taraxacum mongolicum | Pu Gong Ying Jin Gao | 蒲公英浸膏 |
| TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
Showing 1 to 10 of 18 entries
Ingredient ID: TCMC1566
Formula: C10H10O3
Ingredient ID: TCMC1566
| Common Name | Methyl P-Hydroxycinnamate |
| IUPAC Name | methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| Canonical SMILES | COC(=O)/C=C/c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+ |
| Standard InCHIKey | NITWSHWHQAQBAW-QPJJXVBHSA-N |
| External Identifiers | ChEMBL [CHEMBL146816]; PubChem [5319562]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1896 | Radix rehmanniae | Sheng Di Huang | 生地黄 |
| TCMH1897 | Radix rehmanniae | Sheng Di Huang Zhi | 生地黄汁 |
| TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
| TCMH2147 | Radix rehmanniae | Tu Sheng Di | 土生地 |
| TCMH2207 | Schisandra sphenanthera | Wu Xiang Xue Teng | 五香血藤 |
| TCMH2513 | Rhododendron mucronulatum | Ying Shan Hong | 映山红 |
| TCMH270 | Clerodendrum trichotomum | Chou Wu Tong | 臭梧桐 |
| TCMH271 | Clerodendrum trichotomum | Chou Wu Tong Ye | 臭梧桐叶 |
| TCMH600 | Euonymus fortunei | Fu Fang Teng | 扶芳藤 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC1285
Formula: C30H32O9
Ingredient ID: TCMC1285
| Common Name | Gomisin C |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(c(c1OC)OC)c1c(cc3c(c1OC)OCO3)C[C@@H]([C@]([C@H]2OC(=O)c1ccccc1)(C)O)C |
| Standard InCHI | InChI=1S/C30H32O9/c1-16-12-18-13-21-25(38-15-37-21)26(35-5)22(18)23-19(14-20(33-3)24(34-4)27(23)36-6)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3/t16-,28-,30-/m0/s1 |
| Standard InCHIKey | UFCGDBKFOKKVAC-DSASHONVSA-N |
| External Identifiers | ChEMBL [CHEMBL404875]; PubChem [151529]; |
| Reference of Component-Ingredient Pair | 26685855 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2203 | Schisandra chinensis | Wu Wei Zi Chun Jin Gao | 五味子醇浸膏 |
| TCMH2204 | Schisandra chinensis | Wu Wei Zi Jin Chu Wu | 五味子浸出物 |
| TCMH2205 | Schisandra chinensis | Wu Wei Zi Jin Gao | 五味子浸膏 |
| TCMH2206 | Schisandra chinensis | Wu Wei Zi Liu Jin Gao | 五味子流浸膏 |
| TCMH2207 | Schisandra sphenanthera | Wu Xiang Xue Teng | 五香血藤 |
Showing 1 to 6 of 6 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1285 | C30H32O9 | Gomisin C | 536.2 | -0.5025 | 3.77 | 4.763 | 3 | 1 | 101.91 | 14 | 5 | 39 | 0 |
| TCMC1566 | C10H10O3 | Methyl P-Hydroxycinnamate | 178.06 | -0.088 | 2.23 | 2.207 | 2 | 1 | 46.53 | 5 | 1 | 13 | 0 |
| TCMC1572 | C10H10O4 | Methylcaffeate | 194.06 | -0.5483 | 2.12 | 1.462 | 2 | 2 | 66.76 | 6 | 1 | 14 | 0 |
| TCMC1907 | C8H6O4 | Piperonylic Acid | 166.03 | -0.5425 | 1.9 | 1.072 | 2 | 1 | 55.76 | 2 | 2 | 12 | 0 |
| TCMC2047 | C24H32O6 | Schisandrin A | 416.22 | 0.5984 | 3.44 | 4.556 | 0 | 0 | 55.38 | 14 | 3 | 30 | 0 |
| TCMC2048 | C23H28O6 | Schisandrin B | 400.19 | 0.3993 | 3.33 | 4.483 | 0 | 0 | 55.38 | 10 | 4 | 29 | 0 |
| TCMC2049 | C23H30O6 | Schisanhenol | 402.2 | 0.1899 | 3.33 | 4.037 | 0 | 1 | 66.38 | 13 | 3 | 29 | 0 |
| TCMC2228 | C9H10O4 | Veratric Acid | 182.06 | -0.3434 | 2.01 | 1.145 | 2 | 1 | 55.76 | 6 | 1 | 13 | 0 |
| TCMC2329 | C29H28O9 | Schisantherin D | 520.17 | -0.7016 | 3.66 | 4.69 | 3 | 1 | 101.91 | 10 | 6 | 38 | 0 |
| TCMC2333 | C30H32O9 | Gomisin G | 536.2 | -0.5025 | 3.77 | 4.763 | 3 | 1 | 101.91 | 14 | 5 | 39 | 0 |
Showing 1 to 10 of 22 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
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