Component ID |
TCMH291 |
Latin Name |
Cortex magnoliae officinalis |
English Name |
bark of officinal magnolia |
Chinese Pinyin Name |
Chuan Pu |
中文名 |
川朴 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
SATCM |
Barcode ID |
ITSAM1591-14 |
Barcode Source |
BOLDSYSTEMS |
Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
---|---|---|---|---|
TCMT1 | EHMT2 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Transferase | Q96KQ7 |
TCMT114 | CNR2 | Cannabinoid CB2 receptor | GPCR | P34972 |
TCMT115 | CNR1 | Cannabinoid CB1 receptor | GPCR | P21554 |
TCMT130 | ALOX5 | Arachidonate 5-lipoxygenase | Oxidoreductase | P09917 |
TCMT150 | RORC | Nuclear receptor ROR-gamma | Nuclear receptor | P51449 |
TCMT17 | POLB | DNA polymerase beta | Transferase | P06746 |
TCMT18 | GAA | Lysosomal alpha-glucosidase | Hydrolase | P10253 |
TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
TCMT248 | CXCL8 | Interleukin-8 | Unclassified | P10145 |
TCMT33 | CYP3A4 | Cytochrome P450 3A4 | Oxidoreductase | P08684 |
Target ID | Target Name |
---|---|
TCMT1136 | Neuraminidase |
TCMT1183 | Candida albicans SC5314 |
TCMT1201 | Staphylococcus epidermidis ATCC 12228 |
TCMT1218 | Staphylococcus aureus |
TCMT1219 | Enterococcus |
TCMT1223 | Staphylococcus epidermidis |
TCMT1286 | Bacillus cereus |
TCMT1454 | Bacillus subtilis |
TCMT1464 | Hepatitis B virus |
Ingredient ID: TCMC2528
Formula: C18H13NO3
Common Name | Lysicamine |
IUPAC Name | n.a. |
Canonical SMILES | COc1c(OC)cc2c3c1c1ccccc1C(=O)c3ncc2 |
Standard InCHI | InChI=1S/C18H13NO3/c1-21-13-9-10-7-8-19-16-14(10)15(18(13)22-2)11-5-3-4-6-12(11)17(16)20/h3-9H,1-2H3 |
Standard InCHIKey | DPBMWJXWUINLQT-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL510090]; PubChem [122691]; |
Reference of Component-Ingredient Pair | 23445637 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
TCMH1285 | Orobanche coerulescens | Lie Dang | 列当 |
TCMH1598 | Nelumbo nucifera | Ou | 藕 |
TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
TCMH1662 | Pharbitis nil | Qian Niu Zi | 牵牛子 |
TCMH2051 | Ziziphus jujuba var. spinosa | Suan Zao | 酸枣 |
TCMH2052 | Ziziphus jujuba var. spinosa | Suan Zao Ren | 酸枣仁 |
TCMH213 | Boschniakia rossica | Cao Cong Rong | 草苁蓉 |
Ingredient ID: TCMC1523
Formula: C18H18O2
Common Name | Magnolol |
IUPAC Name | 2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol |
Canonical SMILES | C=CCc1ccc(c(c1)c1cc(CC=C)ccc1O)O |
Standard InCHI | InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2 |
Standard InCHIKey | VVOAZFWZEDHOOU-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL180920]; PubChem [72300]; |
Reference of Component-Ingredient Pair | 21355261 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
TCMH2316 | Magnolia liliflora | Xin Yi | 辛夷 |
TCMH2317 | Magnolia liliflora | Xin Yi Hua | 辛夷花 |
TCMH2319 | Magnolia liliflora | Xin Yi Hua Jin Gao Fen | 辛夷花浸膏粉 |
TCMH2320 | Magnolia liliflora | Xin Yi Ren | 辛夷仁 |
TCMH291 | Cortex magnoliae officinalis | Chuan Pu | 川朴 |
TCMH363 | Rheum officinale | Da Huang | 大黄 |
TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
TCMH447 | Illicium difengpi | Di Feng Pi | 地枫皮 |
Ingredient ID: TCMC1334
Formula: C18H18O2
Common Name | Honokiol |
IUPAC Name | 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol |
Canonical SMILES | C=CCc1ccc(c(c1)c1ccc(c(c1)CC=C)O)O |
Standard InCHI | InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2 |
Standard InCHIKey | FVYXIJYOAGAUQK-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL16901]; PubChem [72303]; |
Reference of Component-Ingredient Pair | 22766801 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
TCMH291 | Cortex magnoliae officinalis | Chuan Pu | 川朴 |
TCMH363 | Rheum officinale | Da Huang | 大黄 |
TCMH365 | Rheum officinale | Da Huang Jin Gao | 大黄浸膏 |
TCMH366 | Rheum officinale | Da Huang Liu Jin Gao | 大黄流浸膏 |
TCMH498 | Benincasa hispida | Dong Gua Pi | 冬瓜皮 |
TCMH500 | Benincasa hispida | Dong Gua Zi | 冬瓜子 |
TCMH890 | Cortex magnoliae officinalis | Hou Pu | 厚朴 |
TCMH891 | Flos magnoliae offcinalis | Hou Pu Hua | 厚朴花 |
Ingredient ID: TCMC1108
Formula: C9H6Cl6O3S
Common Name | Endosulfan |
IUPAC Name | n.a. |
Canonical SMILES | O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl |
Standard InCHI | InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2 |
Standard InCHIKey | RDYMFSUJUZBWLH-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL194399]; PubChem [3224]; |
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC1108 | C9H6Cl6O3S | Endosulfan | 403.82 | 2.166 | 1.35 | 0.839 | 3 | 0 | 54.74 | 6 | 3 | 19 | 0 |
TCMC1334 | C18H18O2 | Honokiol | 266.13 | 1.1368 | 3.22 | 5.024 | 0 | 2 | 40.46 | 7 | 2 | 20 | 1 |
TCMC1523 | C18H18O2 | Magnolol | 266.13 | 1.1368 | 3.22 | 5.446 | 0 | 2 | 40.46 | 7 | 2 | 20 | 1 |
TCMC2528 | C18H13NO3 | Lysicamine | 291.09 | -0.3674 | 3 | 3.348 | 2 | 0 | 48.42 | 4 | 4 | 22 | 0 |