Description of the Component
Component ID |
TCMH623 |
Latin Name |
Aconitum carmichaeli |
English Name |
Prepared common monkshood daughter root |
Chinese Pinyin Name |
Fu Zi |
中文名 |
附子 |
TCM Properties |
Extreme Hot,Pungent,Sweet |
TCM Meridians |
Spleen,Heart,Kidney |
Therapeutic Class English |
For warming interior |
Therapeutic Class Chinese |
温里 |
Functions |
cause restoration from collapse, supplement body fire and reinforce yang, and dispel wind, cold and damp |
Toxicity |
Toxic |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAH2410-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1016 | Yi Shen Ling Granules | 益肾灵颗粒 |
| TCMF1254 | Fuzi Lizhong Pills, Aconite Bolus for Regulating the Function of Middle-jiao | 附子理中丸 |
| TCMF1275 | Guifu Lizhong Pills | 桂附理中丸 |
| TCMF1328 | Tablet for Chronic Nephritis | 肾康宁片 |
| TCMF1335 | Longevity Powder | 龟龄集 |
| TCMF1357 | Tianma Pills; Gastrodia Tuber Bolus | 天麻丸 |
| TCMF1358 | Pill of Mume; Mume Pill | 乌梅丸 |
| TCMF1387 | Mugua Pills | 木瓜丸 |
| TCMF1431 | Qufeng Shujin Pills | 祛风舒筋丸 |
| TCMF1645 | Ginseng Aconitum Decoction | 参附汤 |
Showing 1 to 10 of 247 entries
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: TCMC7276
Formula: C33H45NO9
Ingredient ID: TCMC7276
| Common Name | Isodelphinine |
| IUPAC Name | [(1S,2R,3R,4S,5S,6R,7S,8R,9R,10R,13S,16S,17R,18R)-8-acetyloxy-7-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate |
| Canonical SMILES | COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H]([C@H]3[NH+](C1)C)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC(=O)c2ccccc2)[C@H]([C@@H]1O)OC)OC(=O)C)OC |
| Standard InCHI | InChI=1S/C33H45NO9/c1-17(35)43-33-22-20(14-19(25(40-5)29(33)36)24(22)42-30(37)18-10-8-7-9-11-18)32-21(39-4)12-13-31(16-38-3)15-34(2)28(32)23(33)26(41-6)27(31)32/h7-11,19-29,36H,12-16H2,1-6H3/p+1/t19-,20+,21-,22+,23-,24-,25+,26-,27+,28+,29-,31-,32-,33+/m0/s1 |
| Standard InCHIKey | MYVIYJCHYUIXLX-NNASVCRSSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [102146471]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7248
Formula: C25H39NO7
Ingredient ID: TCMC7248
| Common Name | Delbrunine |
| IUPAC Name | (1S,2R,3R,4S,5S,6S,8R,12S,13S,16S,19S,20R,21S)-14-ethyl-6,21-dimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-4,19-diol |
| Canonical SMILES | COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@H](OC)[C@]2([C@H]3[NH+](C1)CC)OCO[C@@]12[C@@H]2[C@H]4C[C@@H]([C@@H]2O)[C@H](C1)OC)O |
| Standard InCHI | InChI=1S/C25H39NO7/c1-5-26-10-22(11-29-2)7-6-16(27)24-14-8-13-15(30-3)9-23(17(14)18(13)28)25(21(24)26,33-12-32-23)20(31-4)19(22)24/h13-21,27-28H,5-12H2,1-4H3/p+1/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1 |
| Standard InCHIKey | MSIFWQXGXCPJTR-DIZROUMASA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [101986490]; |
| Reference of Component-Ingredient Pair | 20550959 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7243
Formula: C35H49NO9
Ingredient ID: TCMC7243
| Common Name | Vilmorrianine C |
| IUPAC Name | [(1S,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate |
| Canonical SMILES | COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H]([C@H]3[NH+](C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC(=O)c2ccc(cc2)OC)[C@H](C1)OC)OC(=O)C)OC |
| Standard InCHI | InChI=1S/C35H49NO9/c1-8-36-17-33(18-39-3)14-13-25(42-6)35-23-15-22-24(41-5)16-34(45-19(2)37,27(31(35)36)29(43-7)30(33)35)26(23)28(22)44-32(38)20-9-11-21(40-4)12-10-20/h9-12,22-31H,8,13-18H2,1-7H3/p+1/t22-,23-,24+,25+,26-,27+,28+,29+,30-,31-,33+,34-,35+/m1/s1 |
| Standard InCHIKey | LYUPEIXJYAJCHL-YKLHRILBSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [101939158]; |
| Reference of Component-Ingredient Pair | 24380280 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7242
Formula: C35H49NO10
Ingredient ID: TCMC7242
| Common Name | Crassicauline A |
| IUPAC Name | [(1S,2R,3R,4R,5S,6S,8R,9R,10R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate |
| Canonical SMILES | COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H]([C@H]3[NH+](C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@]([C@@H]2OC(=O)c2ccc(cc2)OC)([C@H](C1)OC)O)OC(=O)C)OC |
| Standard InCHI | InChI=1S/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3/p+1/t22-,23+,24+,25-,26+,27+,28-,29-,30-,32+,33+,34-,35+/m1/s1 |
| Standard InCHIKey | GAZDXIGXYWVWQX-IBOHHWAHSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [101939157]; |
| Reference of Component-Ingredient Pair | 19652403 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7102
Formula: C25H39NO7
Ingredient ID: TCMC7102
| Common Name | Deltamine |
| IUPAC Name | (1R,2S,3S,4S,5R,6S,8R,12S,13S,16R,19S,20R,21S)-14-ethyl-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-2,21-diol |
| Canonical SMILES | CO[C@H]1C[C@@]23OCO[C@]43[C@@H](O)[C@H]3[C@@]5([C@@]6(C[C@H]1[C@@H]([C@H]26)OC)O)[C@@H]4[NH+](CC)C[C@]3(C)CC[C@@H]5OC |
| Standard InCHI | InChI=1S/C25H39NO7/c1-6-26-11-21(2)8-7-15(30-4)24-18(21)19(27)25(20(24)26)23(32-12-33-25)10-14(29-3)13-9-22(24,28)17(23)16(13)31-5/h13-20,27-28H,6-12H2,1-5H3/p+1/t13-,14+,15+,16+,17+,18-,19+,20+,21+,22+,23-,24-,25-/m1/s1 |
| Standard InCHIKey | GLMFFCVWRKKBJB-ZVAWHEGMSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [101289626]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7093
Formula: C49H77NO10
Ingredient ID: TCMC7093
| Common Name | Lipo-14-O-Anisoylbikhaconine |
| IUPAC Name | [(1S,2R,3R,4R,5S,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-8-hexadecanoyloxy-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)O[C@]12C[C@H](OC)[C@@]3([C@@H]([C@H]1[C@@H](C3)[C@@]13[C@H]4[C@@H]2[C@H](OC)[C@@H]1[C@@](C[NH+]4CC)(COC)CC[C@@H]3OC)OC(=O)c1ccc(cc1)OC)O |
| Standard InCHI | InChI=1S/C49H77NO10/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-38(51)60-48-30-37(57-6)47(53)29-35(39(48)44(47)59-45(52)33-23-25-34(55-4)26-24-33)49-36(56-5)27-28-46(32-54-3)31-50(9-2)43(49)40(48)41(58-7)42(46)49/h23-26,35-37,39-44,53H,8-22,27-32H2,1-7H3/p+1/t35-,36+,37+,39-,40+,41+,42-,43-,44-,46+,47+,48-,49+/m1/s1 |
| Standard InCHIKey | WEMXLICPIWQSDO-VNBOLVCZSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [101253596]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7092
Formula: C33H47NO9
Ingredient ID: TCMC7092
| Common Name | 14-O-Veratroylneoline |
| IUPAC Name | [(1S,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-8,16-dihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 3,4-dimethoxybenzoate |
| Canonical SMILES | COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H]([C@H]3[NH+](C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC(=O)c2ccc(c(c2)OC)OC)[C@H](C1)OC)O)O |
| Standard InCHI | InChI=1S/C33H47NO9/c1-7-34-15-31(16-38-2)11-10-23(35)33-19-13-18-22(41-5)14-32(37,25(29(33)34)27(42-6)28(31)33)24(19)26(18)43-30(36)17-8-9-20(39-3)21(12-17)40-4/h8-9,12,18-19,22-29,35,37H,7,10-11,13-16H2,1-6H3/p+1/t18-,19-,22+,23+,24-,25+,26+,27+,28-,29-,31+,32-,33+/m1/s1 |
| Standard InCHIKey | LZXVEXAXOOENIF-JHHKJKCRSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [101253594]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7091
Formula: C32H45NO8
Ingredient ID: TCMC7091
| Common Name | 14-O-Anisoylneoline |
| IUPAC Name | [(1S,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-8,16-dihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate |
| Canonical SMILES | COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H]([C@H]3[NH+](C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC(=O)c2ccc(cc2)OC)[C@H](C1)OC)O)O |
| Standard InCHI | InChI=1S/C32H45NO8/c1-6-33-15-30(16-37-2)12-11-22(34)32-20-13-19-21(39-4)14-31(36,24(28(32)33)26(40-5)27(30)32)23(20)25(19)41-29(35)17-7-9-18(38-3)10-8-17/h7-10,19-28,34,36H,6,11-16H2,1-5H3/p+1/t19-,20-,21+,22+,23-,24+,25+,26+,27-,28-,30+,31-,32+/m1/s1 |
| Standard InCHIKey | PMCAUYATZKXGHU-QXBSOJDVSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [101253593]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7090
Formula: C33H45NO7
Ingredient ID: TCMC7090
| Common Name | 14-O-Cinnamoylneoline |
| IUPAC Name | [(1S,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-8,16-dihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] (E)-3-phenylprop-2-enoate |
| Canonical SMILES | COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H]([C@H]3[NH+](C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC(=O)/C=C/c2ccccc2)[C@H](C1)OC)O)O |
| Standard InCHI | InChI=1S/C33H45NO7/c1-5-34-17-31(18-38-2)14-13-23(35)33-21-15-20-22(39-3)16-32(37,26(30(33)34)28(40-4)29(31)33)25(21)27(20)41-24(36)12-11-19-9-7-6-8-10-19/h6-12,20-23,25-30,35,37H,5,13-18H2,1-4H3/p+1/b12-11+/t20-,21-,22+,23+,25-,26+,27+,28+,29-,30-,31+,32-,33+/m1/s1 |
| Standard InCHIKey | QNCJLCAJHJQEGR-ALVJYROXSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [101253592]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7049
Formula: C26H41NO7
Ingredient ID: TCMC7049
| Common Name | Bullatine C |
| IUPAC Name | [(1S,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-8,16-dihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate |
| Canonical SMILES | COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H]([C@H]3[NH+](C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC(=O)C)[C@H](C1)OC)O)O |
| Standard InCHI | InChI=1S/C26H41NO7/c1-6-27-11-24(12-31-3)8-7-17(29)26-15-9-14-16(32-4)10-25(30,18(15)20(14)34-13(2)28)19(23(26)27)21(33-5)22(24)26/h14-23,29-30H,6-12H2,1-5H3/p+1/t14-,15-,16+,17+,18-,19+,20+,21+,22-,23-,24+,25-,26+/m1/s1 |
| Standard InCHIKey | RVSYWRBZSPBTQV-DKHSYLGWSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [101021575]; |
| Reference of Component-Ingredient Pair | 10978212 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7041
Formula: C47H73NO10
Ingredient ID: TCMC7041
| Common Name | Lipohypaconitine |
| IUPAC Name | [(1S,2R,3R,4R,5R,6S,7S,8R,9R,10R,13S,16S,17R,18R)-8-hexadecanoyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)O[C@]12[C@@H](O)[C@H](OC)[C@@]3([C@@H]([C@H]1[C@@H](C3)[C@@]13[C@H]4[C@@H]2[C@H](OC)[C@@H]1[C@@](C[NH+]4C)(COC)CC[C@@H]3OC)OC(=O)c1ccccc1)O |
| Standard InCHI | InChI=1S/C47H73NO10/c1-7-8-9-10-11-12-13-14-15-16-17-18-22-25-34(49)58-47-35-32(28-45(52,42(56-6)40(47)50)41(35)57-43(51)31-23-20-19-21-24-31)46-33(54-4)26-27-44(30-53-3)29-48(2)39(46)36(47)37(55-5)38(44)46/h19-21,23-24,32-33,35-42,50,52H,7-18,22,25-30H2,1-6H3/p+1/t32-,33+,35-,36+,37+,38-,39-,40+,41-,42+,44+,45-,46+,47-/m1/s1 |
| Standard InCHIKey | CNWTUSBZAWJZAB-ZSMAVKMRSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [100986276]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7015
Formula: C26H43NO7
Ingredient ID: TCMC7015
| Common Name | Delphatine |
| IUPAC Name | (1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-4,6,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9-diol |
| Canonical SMILES | COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@H](OC)[C@]([C@H]3[NH+](C1)CC)(O)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC)[C@H](C1)OC)O)OC |
| Standard InCHI | InChI=1S/C26H43NO7/c1-7-27-12-23(13-30-2)9-8-17(32-4)25-15-10-14-16(31-3)11-24(28,18(15)19(14)33-5)26(29,22(25)27)21(34-6)20(23)25/h14-22,28-29H,7-13H2,1-6H3/p+1/t14-,15-,16+,17+,18-,19+,20-,21+,22+,23+,24-,25+,26-/m1/s1 |
| Standard InCHIKey | FYNCELMSVIDJLX-FQCWPTJPSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [97960151]; |
| Reference of Component-Ingredient Pair | 18608773 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7011
Formula: C24H39NO6
Ingredient ID: TCMC7011
| Common Name | Bullatine B |
| IUPAC Name | (1S,2R,3R,4S,5S,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol |
| Canonical SMILES | COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H]([C@H]3[NH+](C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2O)[C@H](C1)OC)O)O |
| Standard InCHI | InChI=1S/C24H39NO6/c1-5-25-10-22(11-29-2)7-6-15(26)24-13-8-12-14(30-3)9-23(28,16(13)18(12)27)17(21(24)25)19(31-4)20(22)24/h12-21,26-28H,5-11H2,1-4H3/p+1/t12-,13-,14+,15+,16-,17+,18+,19+,20-,21-,22+,23-,24+/m1/s1 |
| Standard InCHIKey | XRARAKHBJHWUHW-SMCICNQZSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [95371629]; |
| Reference of Component-Ingredient Pair | 29076119 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7003
Formula: C22H33NO2
Ingredient ID: TCMC7003
| Common Name | Denudatine |
| IUPAC Name | (1S,5R,8R,9R,10S,11R,13R,14S,15S,16R)-7-ethyl-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-11,14-diol |
| Canonical SMILES | CC[NH+]1C[C@]2(C)CCC[C@]34[C@H]1[C@H](C[C@H]23)[C@]12[C@H]4[C@@H](O)[C@H](CC1)C(=C)[C@H]2O |
| Standard InCHI | InChI=1S/C22H33NO2/c1-4-23-11-20(3)7-5-8-22-15(20)10-14(18(22)23)21-9-6-13(12(2)19(21)25)16(24)17(21)22/h13-19,24-25H,2,4-11H2,1,3H3/p+1/t13-,14+,15-,16+,17-,18-,19-,20+,21+,22+/m1/s1 |
| Standard InCHIKey | OVXLNQAYPUEDSI-ZAWREGRRSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [92854548]; |
| Reference of Component-Ingredient Pair | 3776545 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7002
Formula: C27H41NO8
Ingredient ID: TCMC7002
| Common Name | Deltaline |
| IUPAC Name | [(1R,2S,3S,4S,5R,6S,8R,12S,13S,16R,19S,20R,21S)-14-ethyl-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-yl] acetate |
| Canonical SMILES | CO[C@H]1C[C@@]23OCO[C@]43[C@@H](OC(=O)C)[C@H]3[C@@]5([C@@]6(C[C@H]1[C@@H]([C@H]26)OC)O)[C@@H]4[NH+](CC)C[C@]3(C)CC[C@@H]5OC |
| Standard InCHI | InChI=1S/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3/p+1/t15-,16+,17+,18+,19+,20-,21+,22+,23+,24+,25-,26-,27-/m1/s1 |
| Standard InCHIKey | DTTPWCNKTMQMTE-TYNNPWLESA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [92854547]; |
| Reference of Component-Ingredient Pair | 22816291 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6856
Formula: C33H47NO9
Ingredient ID: TCMC6856
| Common Name | Neojiangyouaconitine |
| IUPAC Name | [(1S,2R,3R,4R,5R,6S,7S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-5,7-dihydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate |
| Canonical SMILES | COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H]([C@H]3[NH+](C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@]([C@@H]2OC(=O)c2ccccc2)([C@H]([C@@H]1O)OC)O)OC)OC |
| Standard InCHI | InChI=1S/C33H47NO9/c1-7-34-16-30(17-38-2)14-13-20(39-3)32-19-15-31(37)27(43-29(36)18-11-9-8-10-12-18)21(19)33(42-6,26(35)28(31)41-5)22(25(32)34)23(40-4)24(30)32/h8-12,19-28,35,37H,7,13-17H2,1-6H3/p+1/t19-,20+,21-,22+,23+,24-,25-,26+,27-,28+,30+,31-,32+,33-/m1/s1 |
| Standard InCHIKey | WXQMJWAPTHUPHW-FBYRGYIKSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [60155505]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6855
Formula: C34H47NO10
Ingredient ID: TCMC6855
| Common Name | Deoxyaconitine |
| IUPAC Name | [(1S,2R,3R,4R,5R,6S,7S,8R,9R,10R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate |
| Canonical SMILES | COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H]([C@H]3[NH+](C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@]([C@@H]2OC(=O)c2ccccc2)([C@H]([C@@H]1O)OC)O)OC(=O)C)OC |
| Standard InCHI | InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)14-13-21(41-4)33-20-15-32(39)28(44-30(38)19-11-9-8-10-12-19)22(20)34(45-18(2)36,27(37)29(32)43-6)23(26(33)35)24(42-5)25(31)33/h8-12,20-29,37,39H,7,13-17H2,1-6H3/p+1/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1 |
| Standard InCHIKey | PHASMOUKYDUAOZ-YNOWHOKFSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [60155415]; |
| Reference of Component-Ingredient Pair | 20506817 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6844
Formula: C24H39NO5
Ingredient ID: TCMC6844
| Common Name | Talatisamine |
| IUPAC Name | (1S,2R,3R,4S,5S,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol |
| Canonical SMILES | COC[C@]12CC[C@@H]([C@@]34[C@@H]2C[C@@H]([C@H]3[NH+](C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2O)[C@H](C1)OC)O)OC |
| Standard InCHI | InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/p+1/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1 |
| Standard InCHIKey | BDCURAWBZJMFIK-OGVVJMRYSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [57506227]; |
| Reference of Component-Ingredient Pair | 26767293 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6618
Formula: C22H35NO4
Ingredient ID: TCMC6618
| Common Name | Carmichaeline |
| IUPAC Name | (1S,2R,3R,4S,5S,6S,8S,9S,10R,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol |
| Canonical SMILES | CC[NH+]1C[C@]2(C)CC[C@@H]([C@]34[C@H]1[C@H](C[C@H]23)[C@@]1(O)C[C@@H]([C@H]2C[C@@H]4[C@@H]1[C@H]2O)OC)O |
| Standard InCHI | InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/p+1/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1 |
| Standard InCHIKey | HKQZUYOVMYOFIT-JEJCSOMWSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [25083395]; |
| Reference of Component-Ingredient Pair | 21417277 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6611
Formula: C34H47NO11
Ingredient ID: TCMC6611
| Common Name | Aconitine |
| IUPAC Name | [(1S,2R,3R,4R,5R,6S,7S,8R,9R,10R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate |
| Canonical SMILES | COC[C@@]12C[NH+](CC)[C@H]3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2O)OC)O)OC(=O)C)[C@H](C[C@H]1O)OC |
| Standard InCHI | InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/p+1/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1 |
| Standard InCHIKey | XFSBVAOIAHNAPC-NPVHKAFCSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [24832676]; |
| Reference of Component-Ingredient Pair | 18306748 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6329
Formula: C33H45NO11
Ingredient ID: TCMC6329
| Common Name | Mesaconitine |
| IUPAC Name | [(1S,2R,3R,4R,5R,6S,7S,8R,9R,10R,13R,14R,16S,17S,18R)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate |
| Canonical SMILES | COC[C@@]12C[NH+](C)[C@H]3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2O)OC)O)OC(=O)C)[C@H](C[C@H]1O)OC |
| Standard InCHI | InChI=1S/C33H45NO11/c1-16(35)45-33-21-18(13-31(39,28(43-6)26(33)37)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42-5)24(30)32/h7-11,18-28,36-37,39H,12-15H2,1-6H3/p+1/t18-,19-,20+,21-,22+,23+,24-,25-,26+,27-,28+,30+,31-,32+,33-/m1/s1 |
| Standard InCHIKey | XUHJBXVYNBQQBD-GQPWXMLZSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [16401314]; |
| Reference of Component-Ingredient Pair | 23947129 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5703
Formula: C23H37NO5
Ingredient ID: TCMC5703
| Common Name | Isotalatizidine |
| IUPAC Name | (1S,2R,3R,4S,5S,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol |
| Canonical SMILES | COC[C@]12CC[C@@H]([C@@]34[C@@H]2C[C@@H]([C@H]3[NH+](C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2O)[C@H](C1)OC)O)O |
| Standard InCHI | InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/p+1/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1 |
| Standard InCHIKey | RBSZCNOWHDHRFZ-VHNKBEDGSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [11452543]; |
| Reference of Component-Ingredient Pair | 28033733 |
Occurrence of the ingredient across TCM components
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: TCMC3826
Formula: C16H17NO3
Ingredient ID: TCMC3826
| Common Name | Demethylcoclaurine |
| IUPAC Name | (1R)-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
| Canonical SMILES | Oc1ccc(cc1)C[C@H]1[NH2+]CCc2c1cc(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/p+1/t14-/m1/s1 |
| Standard InCHIKey | WZRCQWQRFZITDX-CQSZACIVSA-O |
| External Identifiers | ChEMBL [CHEMBL501778]; PubChem [440988]; |
| Reference of Component-Ingredient Pair | 18556200 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2842
Formula: C6H7NO
Ingredient ID: TCMC2842
| Common Name | P-Aminophenol |
| IUPAC Name | 4-aminophenol |
| 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 [403]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
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 |
| TCMC2842 | C6H7NO | P-Aminophenol | 109.0527638 | -1.2102 | 1.9 | 0.803 | 1 | 2 | 46.25 | 0 | 1 | 8 | 0 |
| TCMC3826 | C16H17NO3 | Demethylcoclaurine | 272.1286684 | -2.5456 | 2.78 | 2.258 | 0 | 4 | 77.3 | 2 | 3 | 20 | 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 |
| TCMC5703 | C23H37NO5 | Isotalatizidine | 408.2749983 | -4.7073 | 3.33 | 0.097 | 5 | 4 | 83.59 | 4 | 6 | 29 | 0 |
Showing 1 to 10 of 31 entries
Download Data
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