Description of the Component
Component ID |
TCMH126 |
Latin Name |
Isatis indigotica |
English Name |
Indigowoad root |
Chinese Pinyin Name |
Ban Lan |
中文名 |
板蓝 |
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 |
KJ765825 |
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 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT112 | ADORA3 | Adenosine A3 receptor | GPCR | P0DMS8 |
| TCMT116 | OPRM1 | Mu opioid receptor | GPCR | P35372 |
| TCMT130 | ALOX5 | Arachidonate 5-lipoxygenase | Oxidoreductase | P09917 |
| TCMT131 | ACHE | Acetylcholinesterase | Hydrolase | P22303 |
| TCMT132 | BCHE | Butyrylcholinesterase | Hydrolase | P06276 |
| TCMT133 | CA1 | Carbonic anhydrase I | Lyase | P00915 |
| TCMT134 | CA2 | Carbonic anhydrase II | Lyase | P00918 |
| TCMT135 | CA14 | Carbonic anhydrase XIV | Lyase | Q9ULX7 |
Showing 1 to 10 of 79 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1085 | Neuraminidase |
| TCMT1099 | Neuraminidase |
| TCMT1136 | Neuraminidase |
| TCMT1151 | Neuraminidase |
| TCMT1160 | Neuraminidase |
| TCMT1161 | Neuraminidase |
| TCMT1162 | Neuraminidase |
| TCMT1163 | Neuraminidase |
| TCMT1164 | Neuraminidase |
| TCMT1206 | Influenza A virus (A/PR/8/34(H1N1)) |
Showing 1 to 10 of 28 entries
Ingredient Structrues
Ingredient ID: TCMC860
Formula: C23H13N3O2
Ingredient ID: TCMC860
| Common Name | Candidine |
| IUPAC Name | (6Z)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one |
| Canonical SMILES | O=C1c2ccccc2N/C/1=c/1c2nc3ccccc3c(=O)n2c2c1cccc2 |
| Standard InCHI | InChI=1S/C23H13N3O2/c27-21-13-7-1-4-10-16(13)24-20(21)19-15-9-3-6-12-18(15)26-22(19)25-17-11-5-2-8-14(17)23(26)28/h1-12,24H/b20-19- |
| Standard InCHIKey | DXENDDMPDZMHSQ-VXPUYCOJSA-N |
| External Identifiers | ChEMBL [CHEMBL503442]; PubChem [5320815]; |
| Reference of Component-Ingredient Pair | 3839621 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| 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 |
| TCMH381 | Isatis indigotica | Da Qing Ye | 大青叶 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC770
Formula: C7H6O2
Ingredient ID: TCMC770
| Common Name | Benzoic Acid |
| IUPAC Name | hydron;benzoate |
| Canonical SMILES | OC(=O)c1ccccc1 |
| Standard InCHI | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) |
| Standard InCHIKey | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL541]; PubChem [20144841]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH105 | Paeonia lactiflora | Bai Shao Gan Jin Gao | 白芍干浸膏 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1150 | Gynura segetum | Jing Tian San Qi | 景天三七 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
Showing 1 to 10 of 67 entries
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: TCMC448
Formula: C9H7NO
Ingredient ID: TCMC448
| Common Name | 3-Formylindole |
| IUPAC Name | 1H-indole-3-carbaldehyde |
| Canonical SMILES | O=Cc1c[nH]c2c1cccc2 |
| Standard InCHI | InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H |
| Standard InCHIKey | OLNJUISKUQQNIM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL147741]; PubChem [10256]; |
| Reference of Component-Ingredient Pair | 22990456 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| TCMH381 | Isatis indigotica | Da Qing Ye | 大青叶 |
| TCMH74 | Patrinia villosa | Bai Jiang | 败酱 |
| TCMH848 | Sesamum indicum | Hei Zhi Ma | 黑芝麻 |
| TCMH865 | Carthamus tinctorius | Hong Hua | 红花 |
| TCMH913 | Sesamum indicum | Hu Ma | 胡麻 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC309
Formula: C14H17NO6
Ingredient ID: TCMC309
| Common Name | 2-(Hydroxymethyl)-6-(1H-Indol-3-Yloxy)Oxane-3,4,5-Triol |
| IUPAC Name | 2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol |
| Canonical SMILES | OCC1OC(Oc2c[nH]c3c2cccc3)C(C(C1O)O)O |
| Standard InCHI | InChI=1S/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2 |
| Standard InCHIKey | XVARCVCWNFACQC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1561942]; PubChem [258533]; |
| Reference of Component-Ingredient Pair | 25597045 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| 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 |
| TCMH381 | Isatis indigotica | Da Qing Ye | 大青叶 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2774
Formula: C19H18N2O2
Ingredient ID: TCMC2774
| Common Name | 2-[7-[(1S)-1-(4-Hydroxyphenyl)Ethyl]-4-Methoxy-1H-Indol-3-Yl]Acetonitrile |
| IUPAC Name | 2-[7-[(1S)-1-(4-hydroxyphenyl)ethyl]-4-methoxy-1H-indol-3-yl]acetonitrile |
| Canonical SMILES | N#CCc1c[nH]c2c1c(OC)ccc2[C@H](c1ccc(cc1)O)C |
| Standard InCHI | InChI=1S/C19H18N2O2/c1-12(13-3-5-15(22)6-4-13)16-7-8-17(23-2)18-14(9-10-20)11-21-19(16)18/h3-8,11-12,21-22H,9H2,1-2H3/t12-/m0/s1 |
| Standard InCHIKey | VSFGQNYRFGEQHT-LBPRGKRZSA-N |
| External Identifiers | ChEMBL [CHEMBL2063175]; PubChem [60155950]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2773
Formula: C22H18N4O2
Ingredient ID: TCMC2773
| Common Name | (2S)-2-[3-(Cyanomethyl)-4-Methoxy-1H-Indol-7-Yl]-2-(4-Methoxy-1H-Indol-3-Yl)Acetonitrile |
| IUPAC Name | (2S)-2-[3-(cyanomethyl)-4-methoxy-1H-indol-7-yl]-2-(4-methoxy-1H-indol-3-yl)acetonitrile |
| Canonical SMILES | N#C[C@@H](c1c[nH]c2c1c(OC)ccc2)c1ccc(c2c1[nH]cc2CC#N)OC |
| Standard InCHI | InChI=1S/C22H18N4O2/c1-27-18-5-3-4-17-21(18)16(12-25-17)15(10-24)14-6-7-19(28-2)20-13(8-9-23)11-26-22(14)20/h3-7,11-12,15,25-26H,8H2,1-2H3/t15-/m1/s1 |
| Standard InCHIKey | PDIDHZDRZQKFOX-OAHLLOKOSA-N |
| External Identifiers | ChEMBL [CHEMBL2063174]; PubChem [70690688]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2742
Formula: C21H16N4O
Ingredient ID: TCMC2742
| Common Name | (2S)-2-[3-(Cyanomethyl)-4-Methoxy-1H-Indol-7-Yl]-2-(1H-Indol-3-Yl)Acetonitrile |
| IUPAC Name | (2S)-2-[3-(cyanomethyl)-4-methoxy-1H-indol-7-yl]-2-(1H-indol-3-yl)acetonitrile |
| Canonical SMILES | N#C[C@@H](c1c[nH]c2c1cccc2)c1ccc(c2c1[nH]cc2CC#N)OC |
| Standard InCHI | InChI=1S/C21H16N4O/c1-26-19-7-6-15(21-20(19)13(8-9-22)11-25-21)16(10-23)17-12-24-18-5-3-2-4-14(17)18/h2-7,11-12,16,24-25H,8H2,1H3/t16-/m1/s1 |
| Standard InCHIKey | VFCSQPLDMATYSC-MRXNPFEDSA-N |
| External Identifiers | ChEMBL [CHEMBL2063173]; PubChem [70690687]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2737
Formula: C11H10N2O
Ingredient ID: TCMC2737
| Common Name | Arvelexin |
| IUPAC Name | 2-(4-methoxy-1H-indol-3-yl)acetonitrile |
| Canonical SMILES | N#CCc1c[nH]c2c1c(OC)ccc2 |
| Standard InCHI | InChI=1S/C11H10N2O/c1-14-10-4-2-3-9-11(10)8(5-6-12)7-13-9/h2-4,7,13H,5H2,1H3 |
| Standard InCHIKey | DHOVDDVYXBMXDM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL2063293]; PubChem [119406]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2736
Formula: C10H10N2O2
Ingredient ID: TCMC2736
| Common Name | (+/-)-2-(2-Oxoindolin-3-Yl)Acetamide |
| IUPAC Name | 2-(2-oxo-1,3-dihydroindol-3-yl)acetamide |
| Canonical SMILES | OC(=N)CC1C(=Nc2c1cccc2)O |
| Standard InCHI | InChI=1S/C10H10N2O2/c11-9(13)5-7-6-3-1-2-4-8(6)12-10(7)14/h1-4,7H,5H2,(H2,11,13)(H,12,14) |
| Standard InCHIKey | YLXMGRTUPUJSOT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL2063292]; PubChem [60156064]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2654
Formula: C15H10N2
Ingredient ID: TCMC2654
| Common Name | Quindoline |
| IUPAC Name | 10H-indolo[3,2-b]quinoline |
| Canonical SMILES | c1ccc2c(c1)nc1c(c2)[nH]c2c1cccc2 |
| Standard InCHI | InChI=1S/C15H10N2/c1-3-7-12-10(5-1)9-14-15(17-12)11-6-2-4-8-13(11)16-14/h1-9,16H |
| Standard InCHIKey | QOAKRWLMTKEDDL-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL224248]; PubChem [98912]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2197
Formula: C11H12N2O2
Ingredient ID: TCMC2197
| Common Name | Tryptophan |
| IUPAC Name | (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid |
| Canonical SMILES | OC(=O)[C@H](Cc1c[nH]c2c1cccc2)N |
| Standard InCHI | InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 |
| Standard InCHIKey | QIVBCDIJIAJPQS-VIFPVBQESA-N |
| External Identifiers | ChEMBL [CHEMBL54976]; PubChem [6305]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
Showing 1 to 10 of 39 entries
Ingredient ID: TCMC2196
Formula: C15H8N2O2
Ingredient ID: TCMC2196
| Common Name | Tryptanthrin |
| IUPAC Name | indolo[2,1-b]quinazoline-6,12-dione |
| Canonical SMILES | O=C1c2nc3ccccc3c(=O)n2c2c1cccc2 |
| Standard InCHI | InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H |
| Standard InCHIKey | VQQVWGVXDIPORV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL306946]; PubChem [73549]; |
| Reference of Component-Ingredient Pair | 11937358 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1281 | Folium polygoni tinctorii | Liao Da Qing Ye | 蓼大青叶 |
| TCMH1430 | Hordeum vulgare | Mai Ya | 麦芽 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| 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 |
| TCMH1678 | Indigo naturalis | Qing Dai | 青黛 |
| TCMH232 | Bufo melanostictus | Chan Chu | 蟾蜍 |
Showing 1 to 10 of 13 entries
Ingredient ID: TCMC2119
Formula: C9H10O5
Ingredient ID: TCMC2119
| Common Name | Syringic Acid |
| IUPAC Name | 4-hydroxy-3,5-dimethoxybenzoic acid |
| Canonical SMILES | COc1cc(cc(c1O)OC)C(=O)O |
| Standard InCHI | InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12) |
| Standard InCHIKey | JMSVCTWVEWCHDZ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1414]; PubChem [10742]; |
| Reference of Component-Ingredient Pair | 23800587 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
Showing 1 to 10 of 78 entries
Ingredient ID: TCMC2074
Formula: C9H8N2O
Ingredient ID: TCMC2074
| Common Name | Sid24824100 |
| IUPAC Name | 1H-indole-3-carboxamide |
| Canonical SMILES | OC(=N)c1c[nH]c2c1cccc2 |
| Standard InCHI | InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12) |
| Standard InCHIKey | LSGKMZLPZFPAIN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL379099]; PubChem [2192542]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2040
Formula: C19H21NO4
Ingredient ID: TCMC2040
| Common Name | Salutaridine |
| IUPAC Name | n.a. |
| Canonical SMILES | COC1=C[C@@]23CCN([C@@H](C2=CC1=O)Cc1c3c(O)c(cc1)OC)C |
| Standard InCHI | InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/t13-,19+/m1/s1 |
| Standard InCHIKey | GVTRUVGBZQJVTF-YJYMSZOUSA-N |
| External Identifiers | ChEMBL [CHEMBL404097]; PubChem [5408233]; |
| Reference of Component-Ingredient Pair | 21475122 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH139 | Thlaspi arvense | Bei Bai Jiang | 北败酱 |
| TCMH1489 | Papaver somniferum | Mi Ying Su Ke | 蜜罂粟壳 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH2514 | Papaver somniferum | Ying Su | 罂粟 |
| TCMH2515 | Papaver somniferum | Ying Su Ke | 罂粟壳 |
Showing 1 to 10 of 13 entries
Ingredient ID: TCMC2037
Formula: C7H6O3
Ingredient ID: TCMC2037
| Common Name | Salicylic Acid |
| IUPAC Name | 2-hydroxybenzoic acid |
| Canonical SMILES | OC(=O)c1ccccc1O |
| Standard InCHI | InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) |
| Standard InCHIKey | YGSDEFSMJLZEOE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL424]; PubChem [338]; |
| 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 |
| TCMH1160 | Polygonatum sibiricum | Jiu Huang Jing | 酒黄精 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
Showing 1 to 10 of 62 entries
Ingredient ID: TCMC1991
Formula: C8H6N2O
Ingredient ID: TCMC1991
| Common Name | Quinazolinone |
| IUPAC Name | 1H-quinazolin-4-one |
| Canonical SMILES | Oc1ncnc2c1cccc2 |
| Standard InCHI | InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11) |
| Standard InCHIKey | QMNUDYFKZYBWQX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL266540]; PubChem [63112]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| TCMH238 | Dichroa febrifuga | Chang Shan | 常山 |
| TCMH381 | Isatis indigotica | Da Qing Ye | 大青叶 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC1928
Formula: C8H7NO4S.K
Ingredient ID: TCMC1928
| Common Name | Potassium;1H-Indol-3-Yl Sulfate |
| IUPAC Name | potassium;1H-indol-3-yl sulfate |
| Canonical SMILES | [O-]S(=O)(=O)Oc1c[nH]c2c1cccc2.[K+] |
| Standard InCHI | InChI=1S/C8H7NO4S.K/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8;/h1-5,9H,(H,10,11,12);/q;+1/p-1 |
| Standard InCHIKey | MDAWATNFDJIBBD-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [CHEMBL1452061]; PubChem [5177095]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1915
Formula: C18H18F3N3O3
Ingredient ID: TCMC1915
| Common Name | Pleconaril |
| IUPAC Name | 3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole |
| Canonical SMILES | Cc1noc(c1)CCCOc1c(C)cc(cc1C)c1noc(n1)C(F)(F)F |
| Standard InCHI | InChI=1S/C18H18F3N3O3/c1-10-7-13(16-22-17(27-24-16)18(19,20)21)8-11(2)15(10)25-6-4-5-14-9-12(3)23-26-14/h7-9H,4-6H2,1-3H3 |
| Standard InCHIKey | KQOXLKOJHVFTRN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL29609]; PubChem [1684]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1895
Formula: C5H7NO3
Ingredient ID: TCMC1895
| Common Name | Pidolic Acid |
| IUPAC Name | 5-oxopyrrolidine-2-carboxylic acid |
| Canonical SMILES | OC(=O)C1CCC(=N1)O |
| Standard InCHI | InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9) |
| Standard InCHIKey | ODHCTXKNWHHXJC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL284718]; PubChem [499]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH381 | Isatis indigotica | Da Qing Ye | 大青叶 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1830
Formula: C16H32O2
Ingredient ID: TCMC1830
| Common Name | Palmitic Acid |
| IUPAC Name | hexadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) |
| Standard InCHIKey | IPCSVZSSVZVIGE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL82293]; PubChem [985]; |
| 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 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| 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 |
Showing 1 to 10 of 274 entries
Ingredient ID: TCMC183
Formula: C17H15NO4
Ingredient ID: TCMC183
| Common Name | (Z)-3-(4-Hydroxy-3,5-Dimethoxybenzylidene)Indolin-2-One |
| IUPAC Name | (3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one |
| Canonical SMILES | COc1cc(/C=C/2C(=Nc3c2cccc3)O)cc(c1O)OC |
| Standard InCHI | InChI=1S/C17H15NO4/c1-21-14-8-10(9-15(22-2)16(14)19)7-12-11-5-3-4-6-13(11)18-17(12)20/h3-9,19H,1-2H3,(H,18,20)/b12-7- |
| Standard InCHIKey | YSERLISPSDGHNH-GHXNOFRVSA-N |
| External Identifiers | ChEMBL [CHEMBL2163553]; PubChem [2437106]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1801
Formula: C16H28N2O4
Ingredient ID: TCMC1801
| Common Name | Oseltamivir |
| IUPAC Name | ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate |
| Canonical SMILES | CCOC(=O)C1=C[C@H]([C@@H]([C@H](C1)N)N=C(O)C)OC(CC)CC |
| Standard InCHI | InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1 |
| Standard InCHIKey | VSZGPKBBMSAYNT-RRFJBIMHSA-N |
| External Identifiers | ChEMBL [CHEMBL1229]; PubChem [65028]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1438
Formula: C10H9N5O
Ingredient ID: TCMC1438
| Common Name | Kinetin |
| IUPAC Name | N-(furan-2-ylmethyl)-7H-purin-6-amine |
| Canonical SMILES | c1coc(c1)CNc1nc[nH]c2c1ncn2 |
| Standard InCHI | InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15) |
| Standard InCHIKey | QANMHLXAZMSUEX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL228792]; PubChem [3830]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1377
Formula: C8H5NO2
Ingredient ID: TCMC1377
| Common Name | Isatin |
| IUPAC Name | 1H-indole-2,3-dione |
| Canonical SMILES | O=C1C(=O)Nc2c1cccc2 |
| Standard InCHI | InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11) |
| Standard InCHIKey | JXDYKVIHCLTXOP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL326294]; PubChem [7054]; |
| Reference of Component-Ingredient Pair | 22969614 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| 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 |
| TCMH1678 | Indigo naturalis | Qing Dai | 青黛 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH381 | Isatis indigotica | Da Qing Ye | 大青叶 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC1376
Formula: C20H18N2O4
Ingredient ID: TCMC1376
| Common Name | Isaindigotone |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc(/C=C/2CCn3c2nc2ccccc2c3=O)cc(c1O)OC |
| Standard InCHI | InChI=1S/C20H18N2O4/c1-25-16-10-12(11-17(26-2)18(16)23)9-13-7-8-22-19(13)21-15-6-4-3-5-14(15)20(22)24/h3-6,9-11,23H,7-8H2,1-2H3/b13-9+ |
| Standard InCHIKey | UBCUTNIGHUVICE-UKTHLTGXSA-N |
| External Identifiers | ChEMBL [CHEMBL518103]; PubChem [N/A]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1371
Formula: C16H10N2O2
Ingredient ID: TCMC1371
| Common Name | Indirubin |
| IUPAC Name | (3Z)-3-(3-oxo-1H-indol-2-ylidene)-1H-indol-2-one |
| Canonical SMILES | O=C1/C(=C2/C(=Nc3c2cccc3)O)/Nc2c1cccc2 |
| Standard InCHI | InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)/b14-13- |
| Standard InCHIKey | CRDNMYFJWFXOCH-YPKPFQOOSA-N |
| External Identifiers | ChEMBL [CHEMBL1276127]; PubChem [5318433]; |
| Reference of Component-Ingredient Pair | 23749163 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| TCMH2309 | Allium macrostemon | Xie Bai | 薤白 |
| TCMH2332 | Spiraea japonica | Xiu Xian Ju | 绣线菊 |
| TCMH381 | Isatis indigotica | Da Qing Ye | 大青叶 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC1370
Formula: C16H10N2O2
Ingredient ID: TCMC1370
| Common Name | Indigo |
| IUPAC Name | (2E)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one |
| Canonical SMILES | O=C1c2ccccc2N/C/1=C1/Nc2c(C1=O)cccc2 |
| Standard InCHI | InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+ |
| Standard InCHIKey | COHYTHOBJLSHDF-BUHFOSPRSA-N |
| External Identifiers | ChEMBL [CHEMBL599552]; PubChem [5318432]; |
| Reference of Component-Ingredient Pair | 23749163 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| 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 |
| TCMH1678 | Indigo naturalis | Qing Dai | 青黛 |
| TCMH2309 | Allium macrostemon | Xie Bai | 薤白 |
| TCMH2332 | Spiraea japonica | Xiu Xian Ju | 绣线菊 |
| TCMH381 | Isatis indigotica | Da Qing Ye | 大青叶 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC1320
Formula: C16H14O6
Ingredient ID: TCMC1320
| Common Name | Hesperetin |
| IUPAC Name | (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one |
| Canonical SMILES | COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1 |
| Standard InCHIKey | AIONOLUJZLIMTK-AWEZNQCLSA-N |
| External Identifiers | ChEMBL [CHEMBL399121]; PubChem [72281]; |
| Reference of Component-Ingredient Pair | 22967624 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
Showing 1 to 10 of 28 entries
Ingredient ID: TCMC1279
Formula: C21H18O6
Ingredient ID: TCMC1279
| Common Name | Glycyrol |
| IUPAC Name | 3,9-dihydroxy-1-methoxy-2-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one |
| Canonical SMILES | COc1c(CC=C(C)C)c(O)cc2c1c1oc3c(c1c(=O)o2)ccc(c3)O |
| Standard InCHI | InChI=1S/C21H18O6/c1-10(2)4-6-12-14(23)9-16-18(19(12)25-3)20-17(21(24)27-16)13-7-5-11(22)8-15(13)26-20/h4-5,7-9,22-23H,6H2,1-3H3 |
| Standard InCHIKey | LWESBHWAOZORCQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL132695]; PubChem [5320083]; |
| Reference of Component-Ingredient Pair | 10953322 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| TCMH381 | Isatis indigotica | Da Qing Ye | 大青叶 |
| TCMH628 | Glycyrrhiza uralensis | Gan Cao | 甘草 |
| TCMH629 | Glycyrrhiza uralensis | Gan Cao Fen | 甘草粉 |
Showing 1 to 10 of 17 entries
Ingredient ID: TCMC1209
Formula: C4H9NO2
Ingredient ID: TCMC1209
| Common Name | Gamma-Aminobutyric Acid |
| IUPAC Name | 4-aminobutanoic acid |
| Canonical SMILES | NCCCC(=O)O |
| Standard InCHI | InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) |
| Standard InCHIKey | BTCSSZJGUNDROE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL96]; PubChem [119]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| TCMH1575 | Bubalus bubalis | Niu Jiao Fen | 牛角粉 |
Showing 1 to 10 of 58 entries
Ingredient ID: TCMC1015
Formula: C11H10N2O
Ingredient ID: TCMC1015
| Common Name | Deoxyvasicinone |
| IUPAC Name | 2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one |
| Canonical SMILES | O=c1c2ccccc2nc2n1CCC2 |
| Standard InCHI | InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2 |
| Standard InCHIKey | VARHXCYGZKSOOO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL456881]; PubChem [68261]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1167 | Dioscorea hypoglauca | Jiu Niu Li | 九牛力 |
| TCMH1213 | Dioscorea parviflora | Ku Liang Jiang | 苦良姜 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| TCMH170 | Dioscorea hypoglauca | Bi Xie | 萆薢 |
| TCMH276 | Dioscorea septemloba | Chuan Bi Xie | 川萆薢 |
| TCMH285 | Dioscorea nipponica | Chuan Long Shu Yu | 穿龙薯蓣 |
| TCMH294 | Rhizoma dioscoreae nipponicae | Chuan Shan Long | 穿山龙 |
Showing 1 to 10 of 14 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1015 | C11H10N2O | Deoxyvasicinone | 186.08 | -0.8417 | 2.34 | 1.937 | 3 | 0 | 32.67 | 0 | 3 | 14 | 0 |
| TCMC1209 | C4H9NO2 | Gamma-Aminobutyric Acid | 103.06 | -1.2313 | 1.57 | -0.668 | 3 | 2 | 63.32 | 5 | 0 | 7 | 0 |
| TCMC1279 | C21H18O6 | Glycyrol | 366.11 | 0.6598 | 3.11 | 2.978 | 1 | 2 | 89.13 | 8 | 4 | 27 | 0 |
| TCMC1320 | C16H14O6 | Hesperetin | 302.08 | -1.8662 | 2.56 | 0.453 | 1 | 3 | 96.22 | 6 | 3 | 22 | 0 |
| TCMC1370 | C16H10N2O2 | Indigo | 262.07 | -1.7942 | 2.78 | 4.628 | 4 | 2 | 58.2 | 0 | 4 | 20 | 0 |
| TCMC1371 | C16H10N2O2 | Indirubin | 262.07 | -0.9404 | 2.78 | 4.524 | 4 | 2 | 61.69 | 1 | 4 | 20 | 0 |
| TCMC1376 | C20H18N2O4 | Isaindigotone | 350.13 | -0.6246 | 3 | 2.627 | 3 | 1 | 71.36 | 6 | 4 | 26 | 0 |
| TCMC1377 | C8H5NO2 | Isatin | 147.03 | -0.8986 | 2.01 | 1.653 | 3 | 1 | 46.17 | 0 | 2 | 11 | 0 |
| TCMC1438 | C10H9N5O | Kinetin | 215.08 | -0.9833 | 1.9 | 0.608 | 5 | 2 | 79.63 | 3 | 3 | 16 | 0 |
| TCMC1801 | C16H28N2O4 | Oseltamivir | 312.2 | -1.1666 | 2.56 | 1.536 | 6 | 2 | 94.14 | 14 | 1 | 22 | 0 |
Showing 1 to 10 of 33 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
→ Then click the download button.
