Description of the Component
Component ID |
TCMH890 |
Latin Name |
Cortex magnoliae officinalis |
English Name |
bark of officinal magnolia |
Chinese Pinyin Name |
Hou Pu |
中文名 |
厚朴 |
TCM Properties |
Warm,Pungent,Bitter |
TCM Meridians |
Lung,Spleen,Large Intestine,Stomach |
Therapeutic Class English |
For desolving dampness by flavors |
Therapeutic Class Chinese |
芳香化湿 |
Functions |
eliminate damp and relieve distension |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Sichuan Province,Chongqing, Fujian Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAM1591-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1046 | Shu Gan Ping Wei Pills | 舒肝平胃丸 |
| TCMF1053 | Pi Wei Shu Pills | 脾胃舒丸 |
| TCMF1063 | Ma Ren Pills | 麻仁丸 |
| TCMF1064 | Ma Ren Zi Pi Pills | 麻仁滋脾丸 |
| TCMF1351 | Antiasthmatic Pill of Perilla Fruit | 苏子降气丸 |
| TCMF1354 | Mu Xiang Qi Soothing Bolus | 木香顺气丸 |
| TCMF1360 | Huoxiang Zhengqi Oral Liquid | 藿香正气口服液 |
| TCMF1362 | Lidan Paishi Tablets | 利胆排石片 |
| TCMF1393 | Liver-Soothing Bolus | 舒肝丸 |
| TCMF1396 | Aucklandia and Amomum Fruit Pills | 香砂养胃丸 |
Showing 1 to 10 of 387 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 |
| 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 |
Showing 1 to 10 of 15 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| 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 |
Showing 1 to 9 of 9 entries
Ingredient Structrues
Ingredient ID: TCMC7350
Formula: C16H16O3
Ingredient ID: TCMC7350
| Common Name | Houpulin M |
| IUPAC Name | 2-(4-hydroxy-3-methoxyphenyl)-4-prop-2-enylphenol |
| Canonical SMILES | C=CCc1ccc(c(c1)c1ccc(c(c1)OC)O)O |
| Standard InCHI | InChI=1S/C16H16O3/c1-3-4-11-5-7-14(17)13(9-11)12-6-8-15(18)16(10-12)19-2/h3,5-10,17-18H,1,4H2,2H3 |
| Standard InCHIKey | PXKGLYZUOBHJQY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3765482]; PubChem [127041818]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7349
Formula: C36H34O5
Ingredient ID: TCMC7349
| Common Name | Houpulin K |
| IUPAC Name | 2-[(2R)-2-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenoxy]-6-prop-2-enyl-3,4-dihydro-2H-chromen-8-yl]-4-prop-2-enylphenol |
| Canonical SMILES | C=CCc1cc2CC[C@@H](Oc2c(c1)c1cc(CC=C)ccc1O)Oc1ccc(c(c1)c1cc(CC=C)ccc1O)O |
| Standard InCHI | InChI=1S/C36H34O5/c1-4-7-23-10-14-32(37)28(19-23)30-22-27(13-16-34(30)39)40-35-17-12-26-18-25(9-6-3)21-31(36(26)41-35)29-20-24(8-5-2)11-15-33(29)38/h4-6,10-11,13-16,18-22,35,37-39H,1-3,7-9,12,17H2/t35-/m1/s1 |
| Standard InCHIKey | XMFSEKNIXLPBTG-PGUFJCEWSA-N |
| External Identifiers | ChEMBL [CHEMBL3765630]; PubChem [127041816]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC7317
Formula: C19H18O3
Ingredient ID: TCMC7317
| Common Name | Houpulin E |
| IUPAC Name | 2-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)-5-prop-2-enylbenzaldehyde |
| Canonical SMILES | C=CCc1ccc(c(c1)c1cc(CC=C)cc(c1O)C=O)O |
| Standard InCHI | InChI=1S/C19H18O3/c1-3-5-13-7-8-18(21)16(10-13)17-11-14(6-4-2)9-15(12-20)19(17)22/h3-4,7-12,21-22H,1-2,5-6H2 |
| Standard InCHIKey | JCJFJPMFRXXYMO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3765299]; PubChem [124134585]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6900
Formula: C18H16O2
Ingredient ID: TCMC6900
| Common Name | 4-Allyl-2-(2'-Methylbenzofuran-5'-Yl)Phenol |
| IUPAC Name | 2-(2-methyl-1-benzofuran-5-yl)-4-prop-2-enylphenol |
| Canonical SMILES | C=CCc1ccc(c(c1)c1ccc2c(c1)cc(o2)C)O |
| Standard InCHI | InChI=1S/C18H16O2/c1-3-4-13-5-7-17(19)16(10-13)14-6-8-18-15(11-14)9-12(2)20-18/h3,5-11,19H,1,4H2,2H3 |
| Standard InCHIKey | ROQCDWCHPHHXKV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [71546085]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6899
Formula: C23H26O2
Ingredient ID: TCMC6899
| Common Name | 5,5'-Diallyl-2’-(3-Methylbut-2-Enyloxy)Biphenyl-2-Ol |
| IUPAC Name | 2-[2-(3-methylbut-2-enoxy)-5-prop-2-enylphenyl]-4-prop-2-enylphenol |
| Canonical SMILES | C=CCc1ccc(c(c1)c1cc(CC=C)ccc1O)OCC=C(C)C |
| Standard InCHI | InChI=1S/C23H26O2/c1-5-7-18-9-11-22(24)20(15-18)21-16-19(8-6-2)10-12-23(21)25-14-13-17(3)4/h5-6,9-13,15-16,24H,1-2,7-8,14H2,3-4H3 |
| Standard InCHIKey | CKHMDPMOGLKXHJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [71546084]; |
| Reference of Component-Ingredient Pair | US2017173162 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6898
Formula: C21H22O2
Ingredient ID: TCMC6898
| Common Name | 5,5'-Diallyl-2’-(Allyloxy)Biphenyl-2-Ol |
| IUPAC Name | 2-(2-prop-2-enoxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol |
| Canonical SMILES | C=CCOc1ccc(cc1c1cc(CC=C)ccc1O)CC=C |
| Standard InCHI | InChI=1S/C21H22O2/c1-4-7-16-9-11-20(22)18(14-16)19-15-17(8-5-2)10-12-21(19)23-13-6-3/h4-6,9-12,14-15,22H,1-3,7-8,13H2 |
| Standard InCHIKey | BXPFRYSBTCXGHG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [71546083]; |
| Reference of Component-Ingredient Pair | US2017173162 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6897
Formula: C18H18O4
Ingredient ID: TCMC6897
| Common Name | 5-Allyl-5'-(1-Hydroxyallyloxy)Biphenyl-2,2'-Diol |
| IUPAC Name | 2-[2-hydroxy-5-(1-hydroxyprop-2-enoxy)phenyl]-4-prop-2-enylphenol |
| Canonical SMILES | C=CCc1ccc(c(c1)c1cc(ccc1O)OC(C=C)O)O |
| Standard InCHI | InChI=1S/C18H18O4/c1-3-5-12-6-8-16(19)14(10-12)15-11-13(7-9-17(15)20)22-18(21)4-2/h3-4,6-11,18-21H,1-2,5H2 |
| Standard InCHIKey | NRUXZTKLMMVTHG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [71546082]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6739
Formula: C18H18O3
Ingredient ID: TCMC6739
| Common Name | Obovatol |
| IUPAC Name | 5-prop-2-enyl-3-(3-prop-2-enylphenoxy)benzene-1,2-diol |
| Canonical SMILES | C=CCc1cccc(c1)Oc1cc(CC=C)cc(c1O)O |
| Standard InCHI | InChI=1S/C18H18O3/c1-3-6-13-8-5-9-15(10-13)21-17-12-14(7-4-2)11-16(19)18(17)20/h3-5,8-12,19-20H,1-2,6-7H2 |
| Standard InCHIKey | RVIUPPNYFNZVFG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL551850]; PubChem [45270574]; |
| Reference of Component-Ingredient Pair | US8183405 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6666
Formula: C18H18O2
Ingredient ID: TCMC6666
| Common Name | (E)-5-Allyl-3'-(Prop-L-Enyl)Biphenyl-2,4'-Diol |
| IUPAC Name | 2-[4-hydroxy-3-[(E)-prop-1-enyl]phenyl]-4-prop-2-enylphenol |
| Canonical SMILES | C=CCc1ccc(c(c1)c1ccc(c(c1)/C=C/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/h3-4,6-12,19-20H,1,5H2,2H3/b6-4+ |
| Standard InCHIKey | MHZPQXNOHIORFI-GQCTYLIASA-N |
| External Identifiers | ChEMBL [CHEMBL569136]; PubChem [44241601]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6593
Formula: C19H18O3
Ingredient ID: TCMC6593
| Common Name | 4'-Methoxymagnaldehyde B |
| IUPAC Name | (E)-3-[4-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)phenyl]prop-2-enal |
| Canonical SMILES | O=C/C=C/c1ccc(c(c1)c1ccc(c(c1)CC=C)OC)O |
| Standard InCHI | InChI=1S/C19H18O3/c1-3-5-16-13-15(8-10-19(16)22-2)17-12-14(6-4-11-20)7-9-18(17)21/h3-4,6-13,21H,1,5H2,2H3/b6-4+ |
| Standard InCHIKey | GZEHOGWVYRVLOJ-GQCTYLIASA-N |
| External Identifiers | ChEMBL [CHEMBL401106]; PubChem [23657448]; |
| Reference of Component-Ingredient Pair | 17918910 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6592
Formula: C17H16O3
Ingredient ID: TCMC6592
| Common Name | 4'-Methoxymagnaldehyde E |
| IUPAC Name | 4-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)benzaldehyde |
| Canonical SMILES | C=CCc1cc(ccc1OC)c1cc(C=O)ccc1O |
| Standard InCHI | InChI=1S/C17H16O3/c1-3-4-14-10-13(6-8-17(14)20-2)15-9-12(11-18)5-7-16(15)19/h3,5-11,19H,1,4H2,2H3 |
| Standard InCHIKey | UNUXJXJQNIRFQB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL253759]; PubChem [23657447]; |
| Reference of Component-Ingredient Pair | 17918910 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6591
Formula: C19H16O4
Ingredient ID: TCMC6591
| Common Name | 4'-Methoxymagndialdehyde |
| IUPAC Name | (E)-3-[4-hydroxy-3-[4-methoxy-3-[(E)-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enal |
| Canonical SMILES | O=C/C=C/c1ccc(c(c1)c1ccc(c(c1)/C=C/C=O)OC)O |
| Standard InCHI | InChI=1S/C19H16O4/c1-23-19-9-7-15(13-16(19)5-3-11-21)17-12-14(4-2-10-20)6-8-18(17)22/h2-13,22H,1H3/b4-2+,5-3+ |
| Standard InCHIKey | NGLPNRNIJGIQJU-ZUVMSYQZSA-N |
| External Identifiers | ChEMBL [CHEMBL399469]; PubChem [23634517]; |
| Reference of Component-Ingredient Pair | 17918910 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6282
Formula: C33H30O6
Ingredient ID: TCMC6282
| Common Name | Magnolignan I |
| IUPAC Name | (2S,3R)-2-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]-3-(hydroxymethyl)-7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1-benzofuran-5-ol |
| Canonical SMILES | C=CCc1ccc(c(c1)c1cc(ccc1O)[C@H]1Oc2c([C@@H]1CO)cc(cc2c1cc(CC=C)ccc1O)O)O |
| Standard InCHI | InChI=1S/C33H30O6/c1-3-5-19-7-10-29(36)23(13-19)25-15-21(9-12-31(25)38)32-28(18-34)27-17-22(35)16-26(33(27)39-32)24-14-20(6-4-2)8-11-30(24)37/h3-4,7-17,28,32,34-38H,1-2,5-6,18H2/t28-,32+/m0/s1 |
| Standard InCHIKey | JLQQJIWDVGIGMI-GMCHKSTQSA-N |
| External Identifiers | ChEMBL [CHEMBL2374777]; PubChem [15714553]; |
| Reference of Component-Ingredient Pair | 28871687 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6281
Formula: C36H36O8
Ingredient ID: TCMC6281
| Common Name | Magnolignan G |
| IUPAC Name | 4-[3-[3,4-dihydroxy-5-(4-prop-2-enylphenoxy)phenyl]-2,3-dihydroxypropyl]-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene-1,2-diol |
| Canonical SMILES | C=CCc1ccc(cc1)Oc1cc(cc(c1O)O)C(C(Cc1c(CC=C)cc(c(c1Oc1ccc(cc1)CC=C)O)O)O)O |
| Standard InCHI | InChI=1S/C36H36O8/c1-4-7-22-10-14-26(15-11-22)43-32-20-25(19-29(37)34(32)41)33(40)31(39)21-28-24(9-6-3)18-30(38)35(42)36(28)44-27-16-12-23(8-5-2)13-17-27/h4-6,10-20,31,33,37-42H,1-3,7-9,21H2 |
| Standard InCHIKey | SPCJNGDXZKPVQG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [15714552]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6280
Formula: C18H18O4
Ingredient ID: TCMC6280
| Common Name | Magnolignan E |
| IUPAC Name | (2S,3R)-2-(hydroxymethyl)-5-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1-benzofuran-3-ol |
| Canonical SMILES | C=CCc1ccc(c(c1)c1ccc2c(c1)[C@@H](O)[C@@H](O2)CO)O |
| Standard InCHI | InChI=1S/C18H18O4/c1-2-3-11-4-6-15(20)13(8-11)12-5-7-16-14(9-12)18(21)17(10-19)22-16/h2,4-9,17-21H,1,3,10H2/t17-,18+/m0/s1 |
| Standard InCHIKey | BDPOAFGMWRJXAL-ZWKOTPCHSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [15714551]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5995
Formula: C15H14O3
Ingredient ID: TCMC5995
| Common Name | Randaiol |
| IUPAC Name | 2-(2-hydroxy-5-prop-2-enylphenyl)benzene-1,4-diol |
| Canonical SMILES | C=CCc1ccc(c(c1)c1cc(O)ccc1O)O |
| Standard InCHI | InChI=1S/C15H14O3/c1-2-3-10-4-6-14(17)12(8-10)13-9-11(16)5-7-15(13)18/h2,4-9,16-18H,1,3H2 |
| Standard InCHIKey | KIQCVMGDSBIIGW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL555924]; PubChem [13337243]; |
| Reference of Component-Ingredient Pair | 19086868 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5908
Formula: C17H17NO2
Ingredient ID: TCMC5908
| Common Name | (R)-Asimilobine |
| IUPAC Name | 1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol |
| Canonical SMILES | COc1c(O)cc2c3c1c1ccccc1CC3[NH2+]CC2 |
| Standard InCHI | InChI=1S/C17H17NO2/c1-20-17-14(19)9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(17)15(11)13/h2-5,9,13,18-19H,6-8H2,1H3/p+1 |
| Standard InCHIKey | NBDNEUOVIJYCGZ-UHFFFAOYSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [12308663]; |
| Reference of Component-Ingredient Pair | 23823874 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5274
Formula: C28H34O2
Ingredient ID: TCMC5274
| Common Name | Piperitylmagnolol |
| IUPAC Name | 2-(2-hydroxy-5-prop-2-enylphenyl)-6-[(6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-4-prop-2-enylphenol |
| Canonical SMILES | C=CCc1cc(C2C=C(C)CC[C@H]2C(C)C)c(c(c1)c1cc(CC=C)ccc1O)O |
| Standard InCHI | InChI=1S/C28H34O2/c1-6-8-20-11-13-27(29)24(15-20)26-17-21(9-7-2)16-25(28(26)30)23-14-19(5)10-12-22(23)18(3)4/h6-7,11,13-18,22-23,29-30H,1-2,8-10,12H2,3-5H3/t22-,23?/m0/s1 |
| Standard InCHIKey | QIWQHZQTBNPZSG-NQCNTLBGSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [9978482]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4881
Formula: C18H22O2
Ingredient ID: TCMC4881
| Common Name | Tetrahydromagnolol |
| IUPAC Name | 2-(2-hydroxy-5-propylphenyl)-4-propylphenol |
| Canonical SMILES | CCCc1ccc(c(c1)c1cc(CCC)ccc1O)O |
| Standard InCHI | InChI=1S/C18H22O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h7-12,19-20H,3-6H2,1-2H3 |
| Standard InCHIKey | OYAQUBKYAKSHOA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL32362]; PubChem [5321851]; |
| Reference of Component-Ingredient Pair | 22568852 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4844
Formula: C18H16O3
Ingredient ID: TCMC4844
| Common Name | Randainal |
| IUPAC Name | (E)-3-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]prop-2-enal |
| Canonical SMILES | C=CCc1ccc(c(c1)c1cc(/C=C/C=O)ccc1O)O |
| Standard InCHI | InChI=1S/C18H16O3/c1-2-4-13-6-8-17(20)15(11-13)16-12-14(5-3-10-19)7-9-18(16)21/h2-3,5-12,20-21H,1,4H2/b5-3+ |
| Standard InCHIKey | CWLSQIXOLLQBDC-HWKANZROSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5320888]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4708
Formula: C36H36O6
Ingredient ID: TCMC4708
| Common Name | Magnolignan F |
| IUPAC Name | 1-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]-3-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]propane-1,2-diol |
| Canonical SMILES | C=CCc1ccc(c(c1)c1cc(CC=C)ccc1O)OCC(C(c1ccc(c(c1)c1cc(CC=C)ccc1O)O)O)O |
| Standard InCHI | InChI=1S/C36H36O6/c1-4-7-23-10-14-31(37)27(18-23)29-21-26(13-16-33(29)39)36(41)34(40)22-42-35-17-12-25(9-6-3)20-30(35)28-19-24(8-5-2)11-15-32(28)38/h4-6,10-21,34,36-41H,1-3,7-9,22H2 |
| Standard InCHIKey | FVWZTCBBMRXVFJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5319207]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4707
Formula: C19H22O5
Ingredient ID: TCMC4707
| Common Name | Magnolignan D |
| IUPAC Name | 3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]-3-methoxypropane-1,2-diol |
| Canonical SMILES | C=CCc1cc(ccc1O)c1cc(ccc1O)C(C(CO)O)OC |
| Standard InCHI | InChI=1S/C19H22O5/c1-3-4-13-9-12(5-7-16(13)21)15-10-14(6-8-17(15)22)19(24-2)18(23)11-20/h3,5-10,18-23H,1,4,11H2,2H3 |
| Standard InCHIKey | JBMSBOVKFSZIBW-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5319204]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4706
Formula: C18H20O4
Ingredient ID: TCMC4706
| Common Name | Magnolignan C |
| IUPAC Name | 3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]propane-1,2-diol |
| Canonical SMILES | C=CCc1cc(ccc1O)c1cc(ccc1O)CC(CO)O |
| Standard InCHI | InChI=1S/C18H20O4/c1-2-3-14-10-13(5-7-17(14)21)16-9-12(4-6-18(16)22)8-15(20)11-19/h2,4-7,9-10,15,19-22H,1,3,8,11H2 |
| Standard InCHIKey | LHJCLTLPXXKFTJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL399697]; PubChem [5319203]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4705
Formula: C18H20O5
Ingredient ID: TCMC4705
| Common Name | Magnolignan B |
| IUPAC Name | 1-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2,3-triol |
| Canonical SMILES | C=CCc1ccc(c(c1)c1cc(ccc1O)C(C(CO)O)O)O |
| Standard InCHI | InChI=1S/C18H20O5/c1-2-3-11-4-6-15(20)13(8-11)14-9-12(5-7-16(14)21)18(23)17(22)10-19/h2,4-9,17-23H,1,3,10H2 |
| Standard InCHIKey | BVHBMPTTZTZCCL-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5319202]; |
| Reference of Component-Ingredient Pair | 19086868 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4704
Formula: C18H20O4
Ingredient ID: TCMC4704
| Common Name | Magnolignan A |
| IUPAC Name | 3-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2-diol |
| Canonical SMILES | C=CCc1ccc(c(c1)c1cc(ccc1O)CC(CO)O)O |
| Standard InCHI | InChI=1S/C18H20O4/c1-2-3-12-4-6-17(21)15(9-12)16-10-13(5-7-18(16)22)8-14(20)11-19/h2,4-7,9-10,14,19-22H,1,3,8,11H2 |
| Standard InCHIKey | ORPULAPYNPMMAQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL2331642]; PubChem [5319201]; |
| Reference of Component-Ingredient Pair | 19086868 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4702
Formula: C19H24NO3
Ingredient ID: TCMC4702
| Common Name | (R)-Magnocurarine |
| IUPAC Name | 1-[(4-hydroxyphenyl)methyl]-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol |
| Canonical SMILES | COc1cc2CC[N+](C(c2cc1O)Cc1ccc(cc1)O)(C)C |
| Standard InCHI | InChI=1S/C19H23NO3/c1-20(2)9-8-14-11-19(23-3)18(22)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17H,8-10H2,1-3H3,(H-,21,22)/p+1 |
| Standard InCHIKey | CLWOXNLVWMXBRD-UHFFFAOYSA-O |
| External Identifiers | ChEMBL [CHEMBL1963333]; PubChem [5319197]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4701
Formula: C15H14O3
Ingredient ID: TCMC4701
| Common Name | Magnatriol B |
| IUPAC Name | 2-(4-hydroxy-3-prop-2-enylphenyl)benzene-1,4-diol |
| Canonical SMILES | C=CCc1cc(ccc1O)c1cc(O)ccc1O |
| Standard InCHI | InChI=1S/C15H14O3/c1-2-3-11-8-10(4-6-14(11)17)13-9-12(16)5-7-15(13)18/h2,4-9,16-18H,1,3H2 |
| Standard InCHIKey | KNQRYSAELBJEAD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL551562]; PubChem [5319191]; |
| Reference of Component-Ingredient Pair | 19086868 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4700
Formula: C16H14O3
Ingredient ID: TCMC4700
| Common Name | Magnaldehyde E |
| IUPAC Name | 4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)benzaldehyde |
| Canonical SMILES | C=CCc1cc(ccc1O)c1cc(C=O)ccc1O |
| Standard InCHI | InChI=1S/C16H14O3/c1-2-3-13-9-12(5-7-15(13)18)14-8-11(10-17)4-6-16(14)19/h2,4-10,18-19H,1,3H2 |
| Standard InCHIKey | GTEXHGPQCNGASJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL251060]; PubChem [5319190]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4699
Formula: C16H14O3
Ingredient ID: TCMC4699
| Common Name | Magnaldehyde D |
| IUPAC Name | 4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)benzaldehyde |
| Canonical SMILES | C=CCc1ccc(c(c1)c1cc(C=O)ccc1O)O |
| Standard InCHI | InChI=1S/C16H14O3/c1-2-3-11-4-6-15(18)13(8-11)14-9-12(10-17)5-7-16(14)19/h2,4-10,18-19H,1,3H2 |
| Standard InCHIKey | KDWYPRNOEMXUNA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL550166]; PubChem [5319189]; |
| Reference of Component-Ingredient Pair | 19086868 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4698
Formula: C18H18O5
Ingredient ID: TCMC4698
| Common Name | Magnaldehyde C |
| IUPAC Name | (E)-3-[3-[5-(2,3-dihydroxypropyl)-2-hydroxyphenyl]-4-hydroxyphenyl]prop-2-enal |
| Canonical SMILES | O=C/C=C/c1ccc(c(c1)c1cc(ccc1O)CC(CO)O)O |
| Standard InCHI | InChI=1S/C18H18O5/c19-7-1-2-12-3-5-17(22)15(9-12)16-10-13(4-6-18(16)23)8-14(21)11-20/h1-7,9-10,14,20-23H,8,11H2/b2-1+ |
| Standard InCHIKey | NHIYVGKMRUPRNM-OWOJBTEDSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5319188]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4697
Formula: C18H16O3
Ingredient ID: TCMC4697
| Common Name | Magnaldehyde B |
| IUPAC Name | (E)-3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]prop-2-enal |
| Canonical SMILES | O=C/C=C/c1ccc(c(c1)c1ccc(c(c1)CC=C)O)O |
| Standard InCHI | InChI=1S/C18H16O3/c1-2-4-15-12-14(7-9-17(15)20)16-11-13(5-3-10-19)6-8-18(16)21/h2-3,5-12,20-21H,1,4H2/b5-3+ |
| Standard InCHIKey | INTLXODHWXUPBA-HWKANZROSA-N |
| External Identifiers | ChEMBL [CHEMBL250885]; PubChem [5319187]; |
| Reference of Component-Ingredient Pair | 25798866 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4660
Formula: C18H18O2
Ingredient ID: TCMC4660
| Common Name | Isomagnolol |
| IUPAC Name | 4-prop-2-enyl-2-(3-prop-2-enylphenoxy)phenol |
| Canonical SMILES | C=CCc1cccc(c1)Oc1cc(CC=C)ccc1O |
| Standard InCHI | InChI=1S/C18H18O2/c1-3-6-14-8-5-9-16(12-14)20-18-13-15(7-4-2)10-11-17(18)19/h3-5,8-13,19H,1-2,6-7H2 |
| Standard InCHIKey | SNYVPSXUTGEODU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5318595]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4369
Formula: C14H20N2O3
Ingredient ID: TCMC4369
| Common Name | N-Feruloylputrescine,Subaphyllin |
| IUPAC Name | (E)-N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide |
| Canonical SMILES | COc1cc(/C=C/C(=O)NCCCC[NH3+])ccc1O |
| Standard InCHI | InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/p+1/b7-5+ |
| Standard InCHIKey | SFUVCMKSYKHYLD-FNORWQNLSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [5281796]; |
| Reference of Component-Ingredient Pair | 19521717 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4296
Formula: C11H12O4
Ingredient ID: TCMC4296
| Common Name | Sinapic Aldehyde |
| IUPAC Name | (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal |
| Canonical SMILES | COc1cc(/C=C/C=O)cc(c1O)OC |
| Standard InCHI | InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+ |
| Standard InCHIKey | CDICDSOGTRCHMG-ONEGZZNKSA-N |
| External Identifiers | ChEMBL [CHEMBL225067]; PubChem [5280802]; |
| Reference of Component-Ingredient Pair | 22779176 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4269
Formula: C20H26NO4
Ingredient ID: TCMC4269
| Common Name | (S)-Tembetarine |
| IUPAC Name | 1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol |
| Canonical SMILES | COc1ccc(cc1O)CC1c2cc(O)c(cc2CC[N+]1(C)C)OC |
| Standard InCHI | InChI=1S/C20H25NO4/c1-21(2)8-7-14-11-20(25-4)18(23)12-15(14)16(21)9-13-5-6-19(24-3)17(22)10-13/h5-6,10-12,16H,7-9H2,1-4H3,(H-,22,23)/p+1 |
| Standard InCHIKey | ABSDACFLIMOXJY-UHFFFAOYSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [4622630]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3653
Formula: C19H24NO3
Ingredient ID: TCMC3653
| Common Name | (R)-Oblongine |
| IUPAC Name | (1S)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol |
| Canonical SMILES | COc1ccc2c(c1O)[C@H](Cc1ccc(cc1)O)[N+](CC2)(C)C |
| Standard InCHI | InChI=1S/C19H23NO3/c1-20(2)11-10-14-6-9-17(23-3)19(22)18(14)16(20)12-13-4-7-15(21)8-5-13/h4-9,16H,10-12H2,1-3H3,(H-,21,22)/p+1/t16-/m0/s1 |
| Standard InCHIKey | POJZOQWVMMYVBU-INIZCTEOSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [173713]; |
| Reference of Component-Ingredient Pair | 27976592 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3580
Formula: C17H15NO2
Ingredient ID: TCMC3580
| Common Name | Anonaine |
| IUPAC Name | (12R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene |
| Canonical SMILES | c1ccc2c(c1)C[C@@H]1c3c2c2OCOc2cc3CC[NH2+]1 |
| Standard InCHI | InChI=1S/C17H15NO2/c1-2-4-12-10(3-1)7-13-15-11(5-6-18-13)8-14-17(16(12)15)20-9-19-14/h1-4,8,13,18H,5-7,9H2/p+1/t13-/m1/s1 |
| Standard InCHIKey | VZTUKBKUWSHDFM-CYBMUJFWSA-O |
| External Identifiers | ChEMBL [CHEMBL401798]; PubChem [160597]; |
| Reference of Component-Ingredient Pair | 28653156 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3372
Formula: C22H26O8
Ingredient ID: TCMC3372
| Common Name | Syringaresinol |
| IUPAC Name | 4-[6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol |
| Canonical SMILES | COc1cc(cc(c1O)OC)C1OCC2C1COC2c1cc(OC)c(c(c1)OC)O |
| Standard InCHI | InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3 |
| Standard InCHIKey | KOWMJRJXZMEZLD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [100067]; |
| Reference of Component-Ingredient Pair | 22007546 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3327
Formula: C15H26O
Ingredient ID: TCMC3327
| Common Name | Α-Eudesmol |
| IUPAC Name | 2-[(2R,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol |
| Canonical SMILES | CC1=CCC[C@]2([C@H]1C[C@@H](CC2)C(O)(C)C)C |
| Standard InCHI | InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13+,15-/m1/s1 |
| Standard InCHIKey | FCSRUSQUAVXUKK-VNHYZAJKSA-N |
| External Identifiers | ChEMBL [CHEMBL3120654]; PubChem [92762]; |
| Reference of Component-Ingredient Pair | 26826740 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3310
Formula: C15H26O
Ingredient ID: TCMC3310
| Common Name | Beta-Eudesmol |
| IUPAC Name | 2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol |
| Canonical SMILES | C=C1CCC[C@]2([C@H]1C[C@@H](CC2)C(O)(C)C)C |
| Standard InCHI | InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,15-/m1/s1 |
| Standard InCHIKey | BOPIMTNSYWYZOC-VNHYZAJKSA-N |
| External Identifiers | ChEMBL [CHEMBL88244]; PubChem [91457]; |
| Reference of Component-Ingredient Pair | 25833731 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH1866 | Cnidium monnieri | She Chuang Zi | 蛇床子 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH211 | Atractylodes lancea | Cang Zhu | 苍术 |
| TCMH562 | Saposhnikovia divaricata | Fang Feng | 防风 |
| TCMH658 | Nardostachys chinensis | Gan Song | 甘松 |
| TCMH890 | Cortex magnoliae officinalis | Hou Pu | 厚朴 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2993
Formula: C19H23NO4
Ingredient ID: TCMC2993
| Common Name | Reticuline |
| IUPAC Name | 1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol |
| Canonical SMILES | COc1ccc(cc1O)CC1[NH+](C)CCc2c1cc(O)c(c2)OC |
| Standard InCHI | InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/p+1 |
| Standard InCHIKey | BHLYRWXGMIUIHG-UHFFFAOYSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [10233]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2975
Formula: C9H10O4
Ingredient ID: TCMC2975
| Common Name | Syringaldehyde |
| IUPAC Name | 4-hydroxy-3,5-dimethoxybenzaldehyde |
| Canonical SMILES | COc1cc(C=O)cc(c1O)OC |
| Standard InCHI | InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3 |
| Standard InCHIKey | KCDXJAYRVLXPFO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL225303]; PubChem [8655]; |
| Reference of Component-Ingredient Pair | 24685503 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2875
Formula: C20H24NO4
Ingredient ID: TCMC2875
| Common Name | (S)-Magnoflorine |
| IUPAC Name | 2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol |
| Canonical SMILES | COc1ccc2c(c1O)c1c(O)c(OC)cc3c1C(C2)[N+](C)(C)CC3 |
| Standard InCHI | InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1 |
| Standard InCHIKey | YLRXAIKMLINXQY-UHFFFAOYSA-O |
| External Identifiers | ChEMBL [N/A]; PubChem [3999]; |
| Reference of Component-Ingredient Pair | 18690217 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2528
Formula: C18H13NO3
Ingredient ID: TCMC2528
| 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 |
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 |
| 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 |
Showing 1 to 10 of 22 entries
Ingredient ID: TCMC1523
Formula: C18H18O2
Ingredient ID: TCMC1523
| 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 |
Occurrence of the ingredient across TCM components
| 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 |
Showing 1 to 10 of 14 entries
Ingredient ID: TCMC1334
Formula: C18H18O2
Ingredient ID: TCMC1334
| 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 |
Occurrence of the ingredient across TCM components
| 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 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC1108
Formula: C9H6Cl6O3S
Ingredient ID: TCMC1108
| 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 |
Occurrence of the ingredient across TCM components
Properties
| 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 |
| TCMC2875 | C20H24NO4 | (S)-Magnoflorine | 342.1705332 | -1.9843 | 3.11 | 1.008 | 0 | 2 | 58.92 | 2 | 4 | 25 | 0 |
| TCMC2975 | C9H10O4 | Syringaldehyde | 182.0579088 | -0.7563 | 2.01 | 0.596 | 1 | 1 | 55.76 | 3 | 1 | 13 | 0 |
| TCMC2993 | C19H23NO4 | Reticuline | 330.1705332 | -2.0866 | 3 | 1.872 | 0 | 3 | 63.36 | 4 | 3 | 24 | 0 |
| TCMC3310 | C15H26O | Beta-Eudesmol | 222.1983655 | 0.6981 | 3 | 4.83 | 1 | 1 | 20.23 | 1 | 2 | 16 | 0 |
| TCMC3327 | C15H26O | Α-Eudesmol | 222.1983655 | 1.5816 | 3 | 4.785 | 1 | 1 | 20.23 | 1 | 2 | 16 | 0 |
| TCMC3372 | C22H26O8 | Syringaresinol | 418.1627678 | -2.1258 | 3 | 0.796 | 2 | 2 | 95.84 | 6 | 4 | 30 | 0 |
Showing 1 to 10 of 47 entries
Download Data
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