Description of the Component
Component ID |
TCMH624 |
Latin Name |
Aconitum carmichaeli |
English Name |
Prepared common monkshood daughter root |
Chinese Pinyin Name |
Fu Zi Ren |
中文名 |
附子仁 |
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 |
ITSAH2410-14 |
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 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| 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 |
Showing 1 to 10 of 24 entries
Targeted Pathogenic Microbes by the Ingredient of Component
Ingredient Structrues
Ingredient ID: TCMC49
Formula: C10H13NO2
Ingredient ID: TCMC49
| Common Name | (1S)-1-Methyl-1,2,3,4-Tetrahydroisoquinoline-6,7-Diol |
| IUPAC Name | (1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
| Canonical SMILES | C[C@@H]1NCCc2c1cc(O)c(c2)O |
| Standard InCHI | InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m0/s1 |
| Standard InCHIKey | IBRKLUSXDYATLG-LURJTMIESA-N |
| External Identifiers | ChEMBL [CHEMBL1195032]; PubChem [91588]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1898 | Aconitum carmichaeli | Sheng Fu Zi | 生附子 |
| TCMH1968 | Aconitum carmichaeli | Shu Fu Kuai | 熟附块 |
| TCMH1969 | Aconitum carmichaeli | Shu Fu Pian | 熟附片 |
| TCMH2215 | Ficus simplicissima | Wu Zhi Mao Tao | 五指毛桃 |
| TCMH399 | Aconitum carmichaeli | Dan Fu Pian | 淡附片 |
| TCMH613 | Aconitum carmichaeli | Fu Pian | 附片 |
| TCMH623 | Aconitum carmichaeli | Fu Zi | 附子 |
| TCMH624 | Aconitum carmichaeli | Fu Zi Ren | 附子仁 |
| TCMH920 | Quercus dentata | Hu Ye Gan Jin Gao | 槲叶干浸膏 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC486
Formula: C6H7NO
Ingredient ID: TCMC486
| Common Name | 4-Aminophenol |
| IUPAC Name | 4-azaniumylphenolate |
| Canonical SMILES | Nc1ccc(cc1)O |
| Standard InCHI | InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2 |
| Standard InCHIKey | PLIKAWJENQZMHA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1142]; PubChem [13283155]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1898 | Aconitum carmichaeli | Sheng Fu Zi | 生附子 |
| TCMH1968 | Aconitum carmichaeli | Shu Fu Kuai | 熟附块 |
| TCMH1969 | Aconitum carmichaeli | Shu Fu Pian | 熟附片 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH399 | Aconitum carmichaeli | Dan Fu Pian | 淡附片 |
| TCMH613 | Aconitum carmichaeli | Fu Pian | 附片 |
| TCMH623 | Aconitum carmichaeli | Fu Zi | 附子 |
| TCMH624 | Aconitum carmichaeli | Fu Zi Ren | 附子仁 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC437
Formula: C6H7NO
Ingredient ID: TCMC437
| Common Name | 3-Aminophenol |
| IUPAC Name | 3-aminophenol |
| Canonical SMILES | Nc1cccc(c1)O |
| Standard InCHI | InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2 |
| Standard InCHIKey | CWLKGDAVCFYWJK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL269755]; PubChem [11568]; |
| Reference of Component-Ingredient Pair | 22302165 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1898 | Aconitum carmichaeli | Sheng Fu Zi | 生附子 |
| TCMH1968 | Aconitum carmichaeli | Shu Fu Kuai | 熟附块 |
| TCMH1969 | Aconitum carmichaeli | Shu Fu Pian | 熟附片 |
| TCMH399 | Aconitum carmichaeli | Dan Fu Pian | 淡附片 |
| TCMH613 | Aconitum carmichaeli | Fu Pian | 附片 |
| TCMH623 | Aconitum carmichaeli | Fu Zi | 附子 |
| TCMH624 | Aconitum carmichaeli | Fu Zi Ren | 附子仁 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2545
Formula: C6H7NO
Ingredient ID: TCMC2545
| Common Name | O-Phenylhydroxylamine |
| IUPAC Name | O-phenylhydroxylamine |
| Canonical SMILES | NOc1ccccc1 |
| Standard InCHI | InChI=1S/C6H7NO/c7-8-6-4-2-1-3-5-6/h1-5H,7H2 |
| Standard InCHIKey | UOKZUTXLHRTLFH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1213940]; PubChem [2794249]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1898 | Aconitum carmichaeli | Sheng Fu Zi | 生附子 |
| TCMH1968 | Aconitum carmichaeli | Shu Fu Kuai | 熟附块 |
| TCMH1969 | Aconitum carmichaeli | Shu Fu Pian | 熟附片 |
| TCMH399 | Aconitum carmichaeli | Dan Fu Pian | 淡附片 |
| TCMH613 | Aconitum carmichaeli | Fu Pian | 附片 |
| TCMH623 | Aconitum carmichaeli | Fu Zi | 附子 |
| TCMH624 | Aconitum carmichaeli | Fu Zi Ren | 附子仁 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC226
Formula: C16H17NO3
Ingredient ID: TCMC226
| Common Name | 1-(4-Hydroxy-Benzyl)-1,2,3,4-Tetrahydro-Isoquinoline-6,7-Diol |
| IUPAC Name | 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
| Canonical SMILES | Oc1ccc(cc1)CC1NCCc2c1cc(O)c(c2)O |
| Standard InCHI | InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2 |
| Standard InCHIKey | WZRCQWQRFZITDX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL19344]; PubChem [114840]; |
| Reference of Component-Ingredient Pair | N/A |
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 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1898 | Aconitum carmichaeli | Sheng Fu Zi | 生附子 |
| TCMH1968 | Aconitum carmichaeli | Shu Fu Kuai | 熟附块 |
| TCMH1969 | Aconitum carmichaeli | Shu Fu Pian | 熟附片 |
| TCMH2239 | Asarum sieboldii | Xi Xin | 细辛 |
| TCMH399 | Aconitum carmichaeli | Dan Fu Pian | 淡附片 |
Showing 1 to 10 of 15 entries
Ingredient ID: TCMC1988
Formula: C6H7NO
Ingredient ID: TCMC1988
| Common Name | Questiomycin B |
| IUPAC Name | 2-aminophenol |
| Canonical SMILES | Nc1ccccc1O |
| Standard InCHI | InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2 |
| Standard InCHIKey | CDAWCLOXVUBKRW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL28319]; PubChem [5801]; |
| Reference of Component-Ingredient Pair | 26795242 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1898 | Aconitum carmichaeli | Sheng Fu Zi | 生附子 |
| TCMH1968 | Aconitum carmichaeli | Shu Fu Kuai | 熟附块 |
| TCMH1969 | Aconitum carmichaeli | Shu Fu Pian | 熟附片 |
| TCMH399 | Aconitum carmichaeli | Dan Fu Pian | 淡附片 |
| TCMH613 | Aconitum carmichaeli | Fu Pian | 附片 |
| TCMH623 | Aconitum carmichaeli | Fu Zi | 附子 |
| TCMH624 | Aconitum carmichaeli | Fu Zi Ren | 附子仁 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC1374
Formula: C6H12O6
Ingredient ID: TCMC1374
| Common Name | Inositol |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- |
| Standard InCHIKey | CDAISMWEOUEBRE-GPIVLXJGSA-N |
| External Identifiers | ChEMBL [CHEMBL1222251]; PubChem [N/A]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1394 | Capparis masaikai | Ma Bing Lang | 马槟榔 |
| TCMH1484 | Apis cerana | Mi La | 蜜蜡 |
Showing 1 to 10 of 47 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1374 | C6H12O6 | Inositol | 180.06 | -3.0642 | 1.46 | -1.458 | 6 | 6 | 121.38 | 6 | 1 | 12 | 1 |
| TCMC1988 | C6H7NO | Questiomycin B | 109.05 | -1.2102 | 1.9 | 1.232 | 1 | 2 | 46.25 | 2 | 1 | 8 | 0 |
| TCMC226 | C16H17NO3 | 1-(4-Hydroxy-Benzyl)-1,2,3,4-Tetrahydro-Isoquinoline-6,7-Diol | 271.12 | -1.5221 | 2.78 | 2.146 | 1 | 4 | 72.72 | 5 | 3 | 20 | 0 |
| TCMC2545 | C6H7NO | O-Phenylhydroxylamine | 109.05 | -0.7496 | 1.9 | 1.534 | 0 | 1 | 35.25 | 2 | 1 | 8 | 0 |
| TCMC437 | C6H7NO | 3-Aminophenol | 109.05 | -1.2102 | 1.9 | 0.803 | 1 | 2 | 46.25 | 2 | 1 | 8 | 0 |
| TCMC486 | C6H7NO | 4-Aminophenol | 109.05 | -1.2102 | 1.9 | 0.803 | 1 | 2 | 46.25 | 2 | 1 | 8 | 0 |
| TCMC49 | C10H13NO2 | (1S)-1-Methyl-1,2,3,4-Tetrahydroisoquinoline-6,7-Diol | 179.09 | -1.0729 | 2.23 | 0.899 | 1 | 3 | 52.49 | 3 | 2 | 13 | 0 |
Showing 1 to 7 of 7 entries
Download Data
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