Description of the Component
Component ID |
TCMH2241 |
Latin Name |
Panax quinquefolium |
English Name |
American ginseng |
Chinese Pinyin Name |
Xi Yang Shen |
中文名 |
西洋参 |
TCM Properties |
Cold,Sweet,Slightly Bitter |
TCM Meridians |
Lung,Heart,Kidney |
Therapeutic Class English |
For tonifying weakness |
Therapeutic Class Chinese |
补虚 |
Functions |
replenish qi and promote body fluids, nourish yin and clear heat |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Hebei Province,Beijing,Tianjin |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
KY120319 |
Barcode Source |
GenBank |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1968 | ZYMDSG Decoction | |
| TCMF2253 | Heat Cooling Qi Enhancing Decoction | |
| TCMF2369 | Diabetes Relieving Decorction | 姜糖饮 |
| TCMF3568 | Ding Kun Pills | 定坤丸 |
| TCMF4426 | Heng Zhi Ke Chuan Capsules | 恒制咳喘胶囊 |
| TCMF5258 | Tan Chuan Ban Xia Granules | 痰喘半夏颗粒 |
| TCMF6760 | Yang Shen Bao Fei Pills | 洋参保肺丸 |
| TCMF6953 | Jian Yan Ling | 健延龄 |
| TCMF6965 | Zhi Qi Oral Liquid | 脂芪口服液 |
| TCMF7106 | Sheng Mo Zeng Ye Tong Capsules | 生脉增液通胶囊 |
Showing 1 to 10 of 20 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 |
| TCMT126 | TERT | Telomerase reverse transcriptase | Transferase | O14746 |
| TCMT133 | CA1 | Carbonic anhydrase I | Lyase | P00915 |
| TCMT134 | CA2 | Carbonic anhydrase II | Lyase | P00918 |
| TCMT150 | RORC | Nuclear receptor ROR-gamma | Nuclear receptor | P51449 |
| TCMT156 | CYP19A1 | Cytochrome P450 19A1 | Oxidoreductase | P11511 |
| TCMT17 | POLB | DNA polymerase beta | Transferase | P06746 |
| TCMT176 | SOAT1 | Acyl coenzyme A:cholesterol acyltransferase 1 | Transferase | P35610 |
| TCMT189 | DUSP3 | Dual specificity protein phosphatase 3 | Hydrolase | P51452 |
Showing 1 to 10 of 32 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1218 | Staphylococcus aureus |
| TCMT1253 | Penicillium chrysogenum |
| TCMT1361 | Neisseria meningitidis |
| TCMT1382 | Plasmodium falciparum (isolate K1 / Thailand) |
| TCMT1438 | Plasmodium falciparum |
| TCMT1442 | Leishmania donovani |
| TCMT1454 | Bacillus subtilis |
| TCMT1462 | Streptococcus mutans |
Showing 1 to 8 of 8 entries
Ingredient Structrues
Ingredient ID: TCMC845
Formula: C15H24O
Ingredient ID: TCMC845
| Common Name | Butylated Hydroxytoluene |
| IUPAC Name | 2,6-ditert-butyl-4-methylphenol |
| Canonical SMILES | Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C |
| Standard InCHI | InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3 |
| Standard InCHIKey | NLZUEZXRPGMBCV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL146]; PubChem [31404]; |
| Reference of Component-Ingredient Pair | 24021950 |
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 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1264 | Litchi chinensis | Li Zhi He | 荔枝核 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1331 | Rhaponticum uniflorum | Lou Lu | 漏芦 |
Showing 1 to 10 of 36 entries
Ingredient ID: TCMC7341
Formula: C42H72O13
Ingredient ID: TCMC7341
| Common Name | Ginsenoside Rg2 |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17R)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@H]2[C@](CCC=C(C)C)(O)C)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C42H72O13/c1-20(2)11-10-14-42(9,51)22-12-16-40(7)28(22)23(44)17-26-39(6)15-13-27(45)38(4,5)35(39)24(18-41(26,40)8)53-37-34(32(49)30(47)25(19-43)54-37)55-36-33(50)31(48)29(46)21(3)52-36/h11,21-37,43-51H,10,12-19H2,1-9H3/t21-,22+,23+,24-,25+,26+,27-,28-,29-,30+,31+,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1 |
| Standard InCHIKey | AGBCLJAHARWNLA-VPKRQXCNSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [124893126]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7226
Formula: C57H94O26
Ingredient ID: TCMC7226
| Common Name | 6'-Malonylginsenoside Rd1 |
| IUPAC Name | 3-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@@](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](COC(=O)CC(=O)[O-])[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C57H94O26/c1-24(2)10-9-14-57(8,83-51-47(74)43(70)40(67)30(80-51)23-76-49-45(72)41(68)37(64)27(20-58)77-49)25-11-16-56(7)36(25)26(60)18-32-54(5)15-13-33(53(3,4)31(54)12-17-55(32,56)6)81-52-48(44(71)38(65)28(21-59)78-52)82-50-46(73)42(69)39(66)29(79-50)22-75-35(63)19-34(61)62/h10,25-33,36-52,58-60,64-74H,9,11-23H2,1-8H3,(H,61,62)/p-1/t25-,26+,27+,28+,29+,30+,31-,32+,33-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45+,46+,47+,48+,49+,50-,51-,52-,54-,55+,56+,57-/m0/s1 |
| Standard InCHIKey | NTYAVUNEPXGZQJ-KXJMYDKTSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [101835367]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7208
Formula: C56H94O24
Ingredient ID: TCMC7208
| Common Name | Quinquenoside R1 |
| IUPAC Name | [(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@@](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C56H94O24/c1-24(2)11-10-15-56(9,80-50-46(71)42(67)39(64)31(77-50)23-73-48-44(69)40(65)36(61)28(20-57)74-48)26-12-17-55(8)35(26)27(60)19-33-53(6)16-14-34(52(4,5)32(53)13-18-54(33,55)7)78-51-47(43(68)37(62)29(21-58)75-51)79-49-45(70)41(66)38(63)30(76-49)22-72-25(3)59/h11,26-51,57-58,60-71H,10,12-23H2,1-9H3/t26-,27+,28+,29+,30+,31+,32-,33+,34-,35-,36+,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48+,49-,50-,51-,53-,54+,55+,56-/m0/s1 |
| Standard InCHIKey | SNHCPECPLQRJNL-GWNBYJSOSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [101679657]; |
| Reference of Component-Ingredient Pair | 25095375 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7166
Formula: C19H26O3
Ingredient ID: TCMC7166
| Common Name | Acetyl Panaxydol |
| IUPAC Name | [(3R)-8-[(2R,3S)-3-heptyloxiran-2-yl]oct-1-en-4,6-diyn-3-yl] acetate |
| Canonical SMILES | CCCCCCC[C@@H]1O[C@@H]1CC#CC#C[C@H](OC(=O)C)C=C |
| Standard InCHI | InChI=1S/C19H26O3/c1-4-6-7-8-11-14-18-19(22-18)15-12-9-10-13-17(5-2)21-16(3)20/h5,17-19H,2,4,6-8,11,14-15H2,1,3H3/t17-,18+,19-/m1/s1 |
| Standard InCHIKey | TZXIQFAHBPZOMM-CEXWTWQISA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [101618815]; |
| Reference of Component-Ingredient Pair | 15056955 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7115
Formula: C17H22O2
Ingredient ID: TCMC7115
| Common Name | Ginsenoyne E |
| IUPAC Name | 8-[(2S,3R)-3-heptyloxiran-2-yl]oct-1-en-4,6-diyn-3-one |
| Canonical SMILES | CCCCCCC[C@H]1O[C@H]1CC#CC#CC(=O)C=C |
| Standard InCHI | InChI=1S/C17H22O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h4,16-17H,2-3,5-7,10,13-14H2,1H3/t16-,17+/m1/s1 |
| Standard InCHIKey | WIONCQLWGYLTME-SJORKVTESA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [101341426]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7013
Formula: C17H24O2
Ingredient ID: TCMC7013
| Common Name | Panaxydol |
| IUPAC Name | (3R)-8-[(2S,3R)-3-heptyloxiran-2-yl]oct-1-en-4,6-diyn-3-ol |
| Canonical SMILES | CCCCCCC[C@H]1O[C@H]1CC#CC#C[C@@H](C=C)O |
| Standard InCHI | InChI=1S/C17H24O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h4,15-18H,2-3,5-7,10,13-14H2,1H3/t15-,16-,17+/m1/s1 |
| Standard InCHIKey | GVLDSGIQZAFIAN-ZACQAIPSSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [95790149]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6991
Formula: C18H30
Ingredient ID: TCMC6991
| Common Name | 3-Phenyldodecane |
| IUPAC Name | [(3S)-dodecan-3-yl]benzene |
| Canonical SMILES | CCCCCCCCC[C@@H](c1ccccc1)CC |
| Standard InCHI | InChI=1S/C18H30/c1-3-5-6-7-8-9-11-14-17(4-2)18-15-12-10-13-16-18/h10,12-13,15-17H,3-9,11,14H2,1-2H3/t17-/m0/s1 |
| Standard InCHIKey | PGVOXXHNGYYHHB-KRWDZBQOSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [92173908]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6446
Formula: C18H32O16
Ingredient ID: TCMC6446
| Common Name | Panose |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)O)O |
| Standard InCHI | InChI=1S/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-8(22)10(24)14(28)18(33-6)34-15-5(2-20)31-16(29)12(26)11(15)25/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9+,10+,11-,12-,13-,14-,15-,16-,17+,18-/m1/s1 |
| Standard InCHIKey | OWEGMIWEEQEYGQ-ASNDPZRISA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21596275]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6261
Formula: C15H24
Ingredient ID: TCMC6261
| Common Name | (1Ar,7R,7Ar,7Bs)-1,1,7,7A-Tetramethyl-1A,2,3,5,6,7,7A,7B-Octahydro-1H-Cyclopropa[A]Naphthalene,Calarene |
| IUPAC Name | (1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene |
| Canonical SMILES | C[C@@H]1CCC=C2[C@@]1(C)[C@H]1[C@H](C1(C)C)CC2 |
| Standard InCHI | InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h7,10,12-13H,5-6,8-9H2,1-4H3/t10-,12-,13+,15+/m1/s1 |
| Standard InCHIKey | MBIPADCEHSKJDQ-PBOSXPJTSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [15560278]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6007
Formula: C11H22O2
Ingredient ID: TCMC6007
| Common Name | 8-Methyl Capric Acid |
| IUPAC Name | (8S)-8-methyldecanoic acid |
| Canonical SMILES | CC[C@@H](CCCCCCC(=O)[O-])C |
| Standard InCHI | InChI=1S/C11H22O2/c1-3-10(2)8-6-4-5-7-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)/p-1/t10-/m0/s1 |
| Standard InCHIKey | WGKCPRZDCLXOIQ-JTQLQIEISA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [13828369]; |
| Reference of Component-Ingredient Pair | US4900473 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5975
Formula: C36H62O9
Ingredient ID: TCMC5975
| Common Name | Ginsenoside-Rh1 |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@](CCC=C(C)C)(O)C)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,33+,34+,35+,36-/m0/s1 |
| Standard InCHIKey | RAQNTCRNSXYLAH-RFCGZQMISA-N |
| External Identifiers | ChEMBL [CHEMBL466844]; PubChem [12855920]; |
| Reference of Component-Ingredient Pair | 20222417 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5806
Formula: C48H76O19
Ingredient ID: TCMC5806
| Common Name | Ginsenoside R0 |
| IUPAC Name | (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)C(=O)[O-])O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-35(58)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(33(56)32(55)36(65-41)38(59)60)66-39-34(57)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/p-1/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36-,37+,39-,40-,41+,45-,46+,47+,48-/m0/s1 |
| Standard InCHIKey | NFZYDZXHKFHPGA-QQHDHSITSA-M |
| External Identifiers | ChEMBL [CHEMBL488317]; PubChem [11815492]; |
| Reference of Component-Ingredient Pair | 25204181 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5759
Formula: C48H82O18
Ingredient ID: TCMC5759
| Common Name | Ginsenoside Rd |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@@](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C48H82O18/c1-22(2)10-9-14-48(8,66-42-39(60)36(57)33(54)26(20-50)62-42)23-11-16-47(7)31(23)24(52)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)64-43-40(37(58)34(55)27(21-51)63-43)65-41-38(59)35(56)32(53)25(19-49)61-41/h10,23-43,49-60H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43-,45-,46+,47+,48-/m0/s1 |
| Standard InCHIKey | RLDVZILFNVRJTL-IWFVLDDISA-N |
| External Identifiers | ChEMBL [CHEMBL473659]; PubChem [11679800]; |
| Reference of Component-Ingredient Pair | 23833949 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5578
Formula: C19H34O7
Ingredient ID: TCMC5578
| Common Name | Linarionoside A |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(1R)-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@@H]2CC(=C(C(C2)(C)C)CC[C@H](O)C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C19H34O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3/t11-,12-,14-,15-,16+,17-,18-/m1/s1 |
| Standard InCHIKey | UJRMJTIXXKZFGB-DGJKUZGGSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11068789]; |
| Reference of Component-Ingredient Pair | 11558593 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5325
Formula: C15H24
Ingredient ID: TCMC5325
| Common Name | (S)-1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohex-1-Ene,Β-Bisabolene |
| IUPAC Name | (4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene |
| Canonical SMILES | CC(=CCCC(=C)[C@H]1CCC(=CC1)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1 |
| Standard InCHIKey | XZRVRYFILCSYSP-OAHLLOKOSA-N |
| External Identifiers | ChEMBL [CHEMBL1077088]; PubChem [10104370]; |
| Reference of Component-Ingredient Pair | 15075399 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH1866 | Cnidium monnieri | She Chuang Zi | 蛇床子 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2241 | Panax quinquefolium | Xi Yang Shen | 西洋参 |
| TCMH33 | Illicium verum | Ba Jiao Hui Xiang | 八角茴香 |
| TCMH421 | Angelica sinensis | Dang Gui | 当归 |
| TCMH517 | Angelica pubescens | Du Huo | 独活 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC5255
Formula: C54H92O23
Ingredient ID: TCMC5255
| Common Name | Ginsenoside Rb1 |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@@](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1 |
| Standard InCHIKey | GZYPWOGIYAIIPV-JBDTYSNRSA-N |
| External Identifiers | ChEMBL [CHEMBL501515]; PubChem [9898279]; |
| Reference of Component-Ingredient Pair | 25422538 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5173
Formula: C53H90O22
Ingredient ID: TCMC5173
| Common Name | Ginsenoside Rb2 |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@@](O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50-,51+,52+,53-/m0/s1 |
| Standard InCHIKey | NODILNFGTFIURN-GZPRDHCNSA-N |
| External Identifiers | ChEMBL [CHEMBL449303]; PubChem [6917976]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4556
Formula: C15H24
Ingredient ID: TCMC4556
| Common Name | Β-Farnesene |
| IUPAC Name | (6Z)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene |
| Canonical SMILES | C=CC(=C)CC/C=C(CCC=C(C)C)/C |
| Standard InCHI | InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12- |
| Standard InCHIKey | JSNRRGGBADWTMC-QINSGFPZSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5317319]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4418
Formula: C18H32O16
Ingredient ID: TCMC4418
| Common Name | Panose B |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)O)O |
| Standard InCHI | InChI=1S/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-8(22)10(24)14(28)18(33-6)34-15-5(2-20)31-16(29)12(26)11(15)25/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9+,10+,11-,12-,13-,14-,15-,16+,17+,18-/m1/s1 |
| Standard InCHIKey | OWEGMIWEEQEYGQ-QNHQVNOCSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5288421]; |
| Reference of Component-Ingredient Pair | 21953108 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4336
Formula: C15H24
Ingredient ID: TCMC4336
| Common Name | (1R,9S)-4,11,11-Trimethyl-8-Methylenebicyclo[7.2.0]Undec-4-Ene,Caryophellene,Β-Caryophyllene |
| IUPAC Name | (1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene |
| Canonical SMILES | C/C/1=CCCC(=C)[C@@H]2[C@@H](CC1)C(C2)(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1 |
| Standard InCHIKey | NPNUFJAVOOONJE-GFUGXAQUSA-N |
| External Identifiers | ChEMBL [CHEMBL445740]; PubChem [5281515]; |
| Reference of Component-Ingredient Pair | 22945026 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH144 | Herba artemisiae anomalae | Bei Liu Ji Nu | 北刘寄奴 |
| TCMH1681 | Artemisia carvifolia | Qing Hao | 青蒿 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH183 | Dryobalanops aromatica | Bing Pian | 冰片 |
Showing 1 to 10 of 25 entries
Ingredient ID: TCMC3900
Formula: C10H16O
Ingredient ID: TCMC3900
| Common Name | Pulegone |
| IUPAC Name | (5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one |
| Canonical SMILES | C[C@@H]1CCC(=C(C)C)C(=O)C1 |
| Standard InCHI | InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1 |
| Standard InCHIKey | NZGWDASTMWDZIW-MRVPVSSYSA-N |
| External Identifiers | ChEMBL [CHEMBL2924219]; PubChem [442495]; |
| Reference of Component-Ingredient Pair | 22953891 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1114 | Herba glechomae longitubae | Jin Qian Cao | 金钱草 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH2241 | Panax quinquefolium | Xi Yang Shen | 西洋参 |
| TCMH228 | Bupleurum chinense | Chai Hu | 柴胡 |
Showing 1 to 5 of 5 entries
Ingredient ID: TCMC3884
Formula: C15H22
Ingredient ID: TCMC3884
| Common Name | Α-Curcumene,Α-Curcumene(R-) |
| IUPAC Name | 1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]benzene |
| Canonical SMILES | CC(=CCC[C@H](c1ccc(cc1)C)C)C |
| Standard InCHI | InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1 |
| Standard InCHIKey | VMYXUZSZMNBRCN-CQSZACIVSA-N |
| External Identifiers | ChEMBL [CHEMBL469717]; PubChem [442360]; |
| Reference of Component-Ingredient Pair | 15330612 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2241 | Panax quinquefolium | Xi Yang Shen | 西洋参 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC3859
Formula: C42H72O14
Ingredient ID: TCMC3859
| Common Name | Ginsenoside Rg1 |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@@](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1 |
| Standard InCHIKey | YURJSTAIMNSZAE-HHNZYBFYSA-N |
| External Identifiers | ChEMBL [CHEMBL501637]; PubChem [441923]; |
| Reference of Component-Ingredient Pair | 25422538 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3857
Formula: C48H82O18
Ingredient ID: TCMC3857
| Common Name | Ginsenoside Re |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@@](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20H2,1-9H3/t22-,23-,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43+,45+,46+,47+,48-/m0/s1 |
| Standard InCHIKey | PWAOOJDMFUQOKB-WCZZMFLVSA-N |
| External Identifiers | ChEMBL [CHEMBL510095]; PubChem [441921]; |
| Reference of Component-Ingredient Pair | 29037473 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3714
Formula: C18H32O16
Ingredient ID: TCMC3714
| Common Name | Panose C |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@H](O[C@]2(CO)O[C@@H]([C@H]([C@@H]2O)O)CO)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O |
| Standard InCHI | InChI=1S/C18H32O16/c19-1-5-8(23)10(25)12(27)16(30-5)32-14-7(3-21)31-17(13(28)11(14)26)34-18(4-22)15(29)9(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15+,16-,17-,18+/m1/s1 |
| Standard InCHIKey | FVVCFHXLWDDRHG-KKNDGLDKSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [193471]; |
| Reference of Component-Ingredient Pair | 22509771 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3132
Formula: C17H28
Ingredient ID: TCMC3132
| Common Name | 6-Phenylundecane |
| IUPAC Name | undecan-6-ylbenzene |
| Canonical SMILES | CCCCCC(c1ccccc1)CCCCC |
| Standard InCHI | InChI=1S/C17H28/c1-3-5-8-12-16(13-9-6-4-2)17-14-10-7-11-15-17/h7,10-11,14-16H,3-6,8-9,12-13H2,1-2H3 |
| Standard InCHIKey | WCABIRIFXVXGQH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [20660]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3091
Formula: C12H18
Ingredient ID: TCMC3091
| Common Name | 1-Phenylhexane |
| IUPAC Name | hexylbenzene |
| Canonical SMILES | CCCCCCc1ccccc1 |
| Standard InCHI | InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3 |
| Standard InCHIKey | LTEQMZWBSYACLV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [14109]; |
| Reference of Component-Ingredient Pair | 22326185 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3080
Formula: C15H24
Ingredient ID: TCMC3080
| Common Name | 1,3,5-Triisopropylphene |
| IUPAC Name | 1,3,5-tri(propan-2-yl)benzene |
| Canonical SMILES | CC(c1cc(cc(c1)C(C)C)C(C)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3 |
| Standard InCHIKey | VUMCUSHVMYIRMB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3187859]; PubChem [12860]; |
| Reference of Component-Ingredient Pair | 22931347 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3025
Formula: C16H34
Ingredient ID: TCMC3025
| Common Name | Hexadecane |
| IUPAC Name | hexadecane |
| Canonical SMILES | CCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3 |
| Standard InCHIKey | DCAYPVUWAIABOU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL134994]; PubChem [11006]; |
| Reference of Component-Ingredient Pair | 22909967 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH158 | Piper longum | Bi Ba | 荜茇 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH1835 | Kaempferia galanga | Shan Nai | 山柰 |
| TCMH2241 | Panax quinquefolium | Xi Yang Shen | 西洋参 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC3006
Formula: C17H34O2
Ingredient ID: TCMC3006
| Common Name | Daturic Acid,Heptadecanoic Acid,Margaric Acid |
| IUPAC Name | heptadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCC(=O)[O-] |
| Standard InCHI | InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)/p-1 |
| Standard InCHIKey | KEMQGTRYUADPNZ-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [CHEMBL1172910]; PubChem [10465]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH2241 | Panax quinquefolium | Xi Yang Shen | 西洋参 |
| TCMH2725 | Fructus perillae | Zi Su Zi | 紫苏子 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
| TCMH797 | Sargassum | Hai Zao | 海藻 |
| TCMH877 | Radix ginseng rubra | Hong Shen | 红参 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2965
Formula: C12H26
Ingredient ID: TCMC2965
| Common Name | Dodecane |
| IUPAC Name | dodecane |
| Canonical SMILES | CCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3 |
| Standard InCHIKey | SNRUBQQJIBEYMU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL30959]; PubChem [8182]; |
| Reference of Component-Ingredient Pair | 22996259 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2959
Formula: C9H18O2
Ingredient ID: TCMC2959
| Common Name | Nonanoic Acid |
| IUPAC Name | nonanoic acid |
| Canonical SMILES | CCCCCCCCC(=O)[O-] |
| Standard InCHI | InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)/p-1 |
| Standard InCHIKey | FBUKVWPVBMHYJY-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [CHEMBL108436]; PubChem [8158]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2886
Formula: C12H22O11
Ingredient ID: TCMC2886
| Common Name | Sucrose |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 |
| Standard InCHIKey | CZMRCDWAGMRECN-UGDNZRGBSA-N |
| External Identifiers | ChEMBL [CHEMBL253582]; PubChem [5988]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1329 | Arillus longan | Long Yan Rou | 龙眼肉 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH182 | Areca catechu | Bing Lang | 槟榔 |
| TCMH1848 | Crataegus pinnatifida | Shan Zha | 山楂 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC2105
Formula: C18H36O2
Ingredient ID: TCMC2105
| Common Name | Stearic Acid |
| IUPAC Name | octadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) |
| Standard InCHIKey | QIQXTHQIDYTFRH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL46403]; PubChem [5281]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| 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 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 176 entries
Ingredient ID: TCMC1876
Formula: C7H5NS
Ingredient ID: TCMC1876
| Common Name | Phenylisothiocyanate |
| IUPAC Name | isothiocyanatobenzene |
| Canonical SMILES | S=C=Nc1ccccc1 |
| Standard InCHI | InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H |
| Standard InCHIKey | QKFJKGMPGYROCL-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL309036]; PubChem [7673]; |
| Reference of Component-Ingredient Pair | 22532020 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1838
Formula: C20H21NO4.ClH
Ingredient ID: TCMC1838
| Common Name | Papaverine Hydrochloride |
| IUPAC Name | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;hydron;chloride |
| Canonical SMILES | COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC.Cl |
| Standard InCHI | InChI=1S/C20H21NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-8,10-12H,9H2,1-4H3;1H |
| Standard InCHIKey | UOTMYNBWXDUBNX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL98123]; PubChem [657373]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
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: TCMC1777
Formula: C8H18O
Ingredient ID: TCMC1777
| Common Name | Octanol |
| IUPAC Name | octan-1-ol |
| Canonical SMILES | CCCCCCCCO |
| Standard InCHI | InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3 |
| Standard InCHIKey | KBPLFHHGFOOTCA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL26215]; PubChem [957]; |
| Reference of Component-Ingredient Pair | 23084055 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1292 | Radix smilacis | Ling Xian | 灵仙 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
Showing 1 to 10 of 51 entries
Ingredient ID: TCMC1776
Formula: C8H16O2
Ingredient ID: TCMC1776
| Common Name | Octanoic Acid |
| IUPAC Name | octanoic acid |
| Canonical SMILES | CCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) |
| Standard InCHIKey | WWZKQHOCKIZLMA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL324846]; PubChem [379]; |
| Reference of Component-Ingredient Pair | 22954530 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | 三七干浸膏 |
| TCMH1771 | Panax notoginseng | San Qi Gao Fen | 三七膏粉 |
Showing 1 to 10 of 49 entries
Ingredient ID: TCMC1495
Formula: C18H32O2
Ingredient ID: TCMC1495
| Common Name | Linoleic Acid |
| IUPAC Name | (9Z,12Z)-octadeca-9,12-dienoic acid |
| Canonical SMILES | CCCCC/C=CC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- |
| Standard InCHIKey | OYHQOLUKZRVURQ-HZJYTTRNSA-N |
| External Identifiers | ChEMBL [CHEMBL267476]; PubChem [5280450]; |
| 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 |
| 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 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH1118 | Lygodium japonicum | Jin Sha Teng | 金沙藤 |
Showing 1 to 10 of 216 entries
Ingredient ID: TCMC1389
Formula: C10H12O2
Ingredient ID: TCMC1389
| Common Name | Isoeugenol |
| IUPAC Name | 2-methoxy-4-[(E)-prop-1-enyl]phenol |
| Canonical SMILES | C/C=C/c1ccc(c(c1)OC)O |
| Standard InCHI | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+ |
| Standard InCHIKey | BJIOGJUNALELMI-ONEGZZNKSA-N |
| External Identifiers | ChEMBL [CHEMBL193598]; PubChem [853433]; |
| Reference of Component-Ingredient Pair | 27986436 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1741 | Myristica fragrans | Rou Dou Kou | 肉豆蔻 |
Showing 1 to 10 of 39 entries
Ingredient ID: TCMC1323
Formula: C6H12O2
Ingredient ID: TCMC1323
| Common Name | Hexanoate |
| IUPAC Name | hexanoic acid |
| Canonical SMILES | CCCCCC(=O)O |
| Standard InCHI | InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) |
| Standard InCHIKey | FUZZWVXGSFPDMH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL14184]; PubChem [8892]; |
| Reference of Component-Ingredient Pair | 28595002 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1460 | Zanthoxylum nitidum | Mao Liang Mian Zhen | 毛两面针 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | 三七干浸膏 |
| TCMH1771 | Panax notoginseng | San Qi Gao Fen | 三七膏粉 |
Showing 1 to 10 of 34 entries
Ingredient ID: TCMC1317
Formula: C7H14O2
Ingredient ID: TCMC1317
| Common Name | Heptanoate |
| IUPAC Name | heptanoic acid |
| Canonical SMILES | CCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) |
| Standard InCHIKey | MNWFXJYAOYHMED-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL320358]; PubChem [8094]; |
| Reference of Component-Ingredient Pair | 21977053 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1770 | Panax notoginseng | San Qi Gan Jin Gao | 三七干浸膏 |
| TCMH1771 | Panax notoginseng | San Qi Gao Fen | 三七膏粉 |
| TCMH1772 | Panax notoginseng | San Qi Hua | 三七花 |
| TCMH1774 | Panax notoginseng | San Qi Jing Ye | 三七茎叶 |
Showing 1 to 10 of 18 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1317 | C7H14O2 | Heptanoate | 130.1 | -1.3057 | 2.01 | 2.449 | 2 | 1 | 37.3 | 7 | 0 | 9 | 0 |
| TCMC1323 | C6H12O2 | Hexanoate | 116.08 | -1.0177 | 1.9 | 1.88 | 2 | 1 | 37.3 | 6 | 0 | 8 | 0 |
| TCMC1389 | C10H12O2 | Isoeugenol | 164.08 | 0.3952 | 2.34 | 2.805 | 0 | 1 | 29.46 | 5 | 1 | 12 | 0 |
| TCMC1495 | C18H32O2 | Linoleic Acid | 280.24 | -0.9485 | 3.22 | 7.865 | 2 | 1 | 37.3 | 16 | 0 | 20 | 2 |
| TCMC1776 | C8H16O2 | Octanoic Acid | 144.12 | -1.5937 | 2.12 | 3.018 | 2 | 1 | 37.3 | 8 | 0 | 10 | 0 |
| TCMC1777 | C8H18O | Octanol | 130.14 | -2.1254 | 2.23 | 3.127 | 1 | 1 | 20.23 | 8 | 0 | 9 | 0 |
| TCMC1830 | C16H32O2 | Palmitic Acid | 256.24 | -3.8977 | 3 | 7.57 | 2 | 1 | 37.3 | 16 | 0 | 18 | 2 |
| TCMC1838 | C20H21NO4.ClH | Papaverine Hydrochloride | 339.15 | 0.114 | 3.11 | 3.363 | 1 | 0 | 49.81 | 10 | 3 | 25 | 0 |
| TCMC1876 | C7H5NS | Phenylisothiocyanate | 135.01 | 0.2643 | 2.01 | 4.164 | 1 | 0 | 44.45 | 1 | 1 | 9 | 0 |
| TCMC2105 | C18H36O2 | Stearic Acid | 284.27 | -4.4737 | 3.22 | 8.708 | 2 | 1 | 37.3 | 18 | 0 | 20 | 2 |
Showing 1 to 10 of 44 entries
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