Component ID |
TCMH1813 |
Latin Name |
Asarum sagittarioides |
English Name |
Arrowhead-like wildginger |
Chinese Pinyin Name |
Shan Ci Gu |
中文名 |
山慈菇 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
Heat clearence |
Therapeutic Class Chinese |
清热 |
Functions |
remove toxic heat, and dissolve lumps |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAI1567-14 |
Barcode Source |
BOLDSYSTEMS |
Prescription ID | Prescription English Name | Prescription Chinese Name |
---|---|---|
TCMF714 | Jin Pu Capsule | 金蒲胶囊 |
TCMF7224 | Dan Xiong Ban Hen Tu Mo | 丹芎瘢痕涂膜 |
TCMFx1036 | Zi Jin Tincture | 紫金锭 |
TCMFx1178 | Long Bi Shu Capsule | 癃闭舒胶囊 |
TCMFx4593 | Bi Wen Tablets | 辟瘟片 |
TCMFx490 | Qing Yu Pi Wen Dan | 庆余辟瘟丹 |
TCMFx5145 | Shi Yi Jiu Ji Pills | 时疫救急丸 |
TCMFx5247 | She Xiang Pills | 麝香丸 |
TCMFx5301 | Wai Yong Zi Jin Ding | 外用紫金锭 |
TCMFx5694 | Shang Ke Wan Hua You | 伤科万花油 |
Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
---|---|---|---|---|
TCMT42 | KMT2A | Histone-lysine N-methyltransferase MLL | Transferase | Q03164 |
Ingredient ID: TCMC6205
Formula: C15H12O3
Common Name | Flavanthrinin |
IUPAC Name | 4-methoxyphenanthrene-2,7-diol |
Canonical SMILES | COc1cc(O)cc2c1c1ccc(cc1cc2)O |
Standard InCHI | InChI=1S/C15H12O3/c1-18-14-8-12(17)7-10-3-2-9-6-11(16)4-5-13(9)15(10)14/h2-8,16-17H,1H3 |
Standard InCHIKey | CJYQJCATAOEZRC-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL447210]; PubChem [14777892]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC5724
Formula: C15H14O3
Common Name | 2-Methoxy-9,10-Dihydrophenanthrene-4,5-Diol |
IUPAC Name | 2-methoxy-9,10-dihydrophenanthrene-4,5-diol |
Canonical SMILES | COc1cc(O)c2c(c1)CCc1c2c(O)ccc1 |
Standard InCHI | InChI=1S/C15H14O3/c1-18-11-7-10-6-5-9-3-2-4-12(16)14(9)15(10)13(17)8-11/h2-4,7-8,16-17H,5-6H2,1H3 |
Standard InCHIKey | KQMGXHNRKZYDEK-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL254186]; PubChem [11506999]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC3697
Formula: C34H46O18
Common Name | (2R,3S)-2,3-Dihydroxy-2-Isobutyl-Succinic Acid Bis[4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxybenzyl] Ester |
IUPAC Name | bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R,3S)-2,3-dihydroxy-2-(2-methylpropyl)butanedioate |
Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc(cc2)COC(=O)[C@H]([C@@](C(=O)OCc2ccc(cc2)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CC(C)C)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
Standard InCHI | InChI=1S/C34H46O18/c1-16(2)11-34(46,33(45)48-15-18-5-9-20(10-6-18)50-32-28(42)26(40)24(38)22(13-36)52-32)29(43)30(44)47-14-17-3-7-19(8-4-17)49-31-27(41)25(39)23(37)21(12-35)51-31/h3-10,16,21-29,31-32,35-43,46H,11-15H2,1-2H3/t21-,22-,23-,24-,25+,26+,27-,28-,29-,31-,32-,34-/m1/s1 |
Standard InCHIKey | QABASLXUKXNHMC-PIFIRMJRSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [185907]; |
Reference of Component-Ingredient Pair | 19894516 |
Ingredient ID: TCMC3650
Formula: C34H46O17
Common Name | Militarin |
IUPAC Name | bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-hydroxy-2-(2-methylpropyl)butanedioate |
Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc(cc2)COC(=O)C[C@@](C(=O)OCc2ccc(cc2)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CC(C)C)O)[C@@H]([C@H]([C@@H]1O)O)O |
Standard InCHI | InChI=1S/C34H46O17/c1-17(2)11-34(45,33(44)47-16-19-5-9-21(10-6-19)49-32-30(43)28(41)26(39)23(14-36)51-32)12-24(37)46-15-18-3-7-20(8-4-18)48-31-29(42)27(40)25(38)22(13-35)50-31/h3-10,17,22-23,25-32,35-36,38-43,45H,11-16H2,1-2H3/t22-,23-,25-,26-,27+,28+,29-,30-,31-,32-,34-/m1/s1 |
Standard InCHIKey | GQNUDXCKVPLQBI-KIQVUASESA-N |
External Identifiers | ChEMBL [CHEMBL3902831]; PubChem [171638]; |
Reference of Component-Ingredient Pair | 8009989 |
Ingredient ID: TCMC3575
Formula: C4H6O4
Common Name | Succinic Acid |
IUPAC Name | butanedioate |
Canonical SMILES | [O-]C(=O)CCC(=O)[O-] |
Standard InCHI | InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2 |
Standard InCHIKey | KDYFGRWQOYBRFD-UHFFFAOYSA-L |
External Identifiers | ChEMBL [N/A]; PubChem [160419]; |
Reference of Component-Ingredient Pair | 16535398 |
Ingredient ID: TCMC3409
Formula: C13H18O7
Common Name | Gastrodin |
IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol |
Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc(cc2)CO)[C@@H]([C@H]([C@@H]1O)O)O |
Standard InCHI | InChI=1S/C13H18O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1 |
Standard InCHIKey | PUQSUZTXKPLAPR-UJPOAAIJSA-N |
External Identifiers | ChEMBL [CHEMBL274739]; PubChem [115067]; |
Reference of Component-Ingredient Pair | 26416021 |
Ingredient ID: TCMC3354
Formula: C32H66O
Common Name | Dotriacontanol |
IUPAC Name | dotriacontan-1-ol |
Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO |
Standard InCHI | InChI=1S/C32H66O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33/h33H,2-32H2,1H3 |
Standard InCHIKey | QOEHNLSDMADWEF-UHFFFAOYSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [96117]; |
Reference of Component-Ingredient Pair | 22536284 |
Ingredient ID: TCMC3225
Formula: C30H62O
Common Name | Triacontanol,Thea Alcohol A |
IUPAC Name | triacontan-1-ol |
Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO |
Standard InCHI | InChI=1S/C30H62O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h31H,2-30H2,1H3 |
Standard InCHIKey | REZQBEBOWJAQKS-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1079147]; PubChem [68972]; |
Reference of Component-Ingredient Pair | 22518320 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1368 | Apocyni veneti folium | Luo Bu Ma Ye | 罗布麻叶 |
TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
TCMH1740 | Cistanche deserticola | Rou Cong Rong | 肉苁蓉 |
TCMH1813 | Asarum sagittarioides | Shan Ci Gu | 山慈菇 |
TCMH2297 | Cirsium setosum | Xiao Ji | 小蓟 |
TCMH524 | Eucommia ulmoides | Du Zhong | 杜仲 |
Ingredient ID: TCMC3068
Formula: C29H60
Common Name | Nonacosane |
IUPAC Name | nonacosane |
Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
Standard InCHI | InChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3 |
Standard InCHIKey | IGGUPRCHHJZPBS-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL428955]; PubChem [12409]; |
Reference of Component-Ingredient Pair | 22292044 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
TCMH1368 | Apocyni veneti folium | Luo Bu Ma Ye | 罗布麻叶 |
TCMH1721 | Panax ginseng | Ren Shen | 人参 |
TCMH1813 | Asarum sagittarioides | Shan Ci Gu | 山慈菇 |
TCMH2128 | Rhizoma bolbostemmae | Tu Bei Mu | 土贝母 |
TCMH2252 | Agrimonia pilosa var. japonica | Xian He Cao | 仙鹤草 |
TCMH2641 | Gardenia jasminoides | Zhi Zi | 栀子 |
TCMH2693 | Fructus gleditsiae abnormalis | Zhu Ya Zao | 猪牙皂 |
TCMH389 | Gleditsiae sinensis fructus | Da Zao Jiao | 大皂角 |
TCMH524 | Eucommia ulmoides | Du Zhong | 杜仲 |
Ingredient ID: TCMC2829
Formula: C7H8O2
Common Name | 4-Hydroxybenzyl Alcohol |
IUPAC Name | 4-(hydroxymethyl)phenol |
Canonical SMILES | OCc1ccc(cc1)O |
Standard InCHI | InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2 |
Standard InCHIKey | BVJSUAQZOZWCKN-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL202132]; PubChem [125]; |
Reference of Component-Ingredient Pair | 22257859 |
Ingredient ID: TCMC1612
Formula: C22H25NO6
Common Name | N-(1,2,3,10-Tetramethoxy-9-Oxo-6,7-Dihydro-5H-Benzo[A]Heptalen-7-Yl)Acetamide |
IUPAC Name | N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide |
Canonical SMILES | COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1C(CC2)N=C(O)C)OC |
Standard InCHI | InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24) |
Standard InCHIKey | IAKHMKGGTNLKSZ-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL87]; PubChem [2833]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC1612 | C22H25NO6 | N-(1,2,3,10-Tetramethoxy-9-Oxo-6,7-Dihydro-5H-Benzo[A]Heptalen-7-Yl)Acetamide | 399.17 | -0.4721 | 3.11 | 1.463 | 4 | 1 | 86.58 | 11 | 3 | 29 | 0 |
TCMC2829 | C7H8O2 | 4-Hydroxybenzyl Alcohol | 124.0524295 | -0.909 | 2.01 | 0.813 | 1 | 2 | 40.46 | 1 | 1 | 9 | 0 |
TCMC3068 | C29H60 | Nonacosane | 408.4695019 | -7.6734 | 4.65 | 16.841 | 0 | 0 | 0 | 26 | 0 | 29 | 2 |
TCMC3225 | C30H62O | Triacontanol,Thea Alcohol A | 438.4800666 | -8.4614 | 4.65 | 15.645 | 1 | 1 | 20.23 | 28 | 0 | 31 | 2 |
TCMC3354 | C32H66O | Dotriacontanol | 466.5113667 | -9.0374 | 4.87 | 16.783 | 1 | 1 | 20.23 | 30 | 0 | 33 | 2 |
TCMC3409 | C13H18O7 | Gastrodin | 286.1052529 | -2.6559 | 2.12 | -0.295 | 6 | 5 | 119.61 | 4 | 2 | 20 | 0 |
TCMC3575 | C4H6O4 | Succinic Acid | 116.0109586 | -1.7656 | 1.46 | -1.672 | 4 | 0 | 80.26 | 3 | 0 | 8 | 0 |
TCMC3650 | C34H46O17 | Militarin | 726.2735 | -4.6485 | 3.33 | 1.121 | 15 | 9 | 271.59 | 17 | 4 | 51 | 3 |
TCMC3697 | C34H46O18 | (2R,3S)-2,3-Dihydroxy-2-Isobutyl-Succinic Acid Bis[4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxybenzyl] Ester | 742.2684146 | -5.3007 | 3.22 | 0.357 | 16 | 10 | 291.82 | 17 | 4 | 52 | 3 |
TCMC5724 | C15H14O3 | 2-Methoxy-9,10-Dihydrophenanthrene-4,5-Diol | 242.0942943 | -0.8476 | 2.78 | 2.907 | 0 | 2 | 49.69 | 1 | 3 | 18 | 0 |