Description of the Component
Component ID |
TCMH1359 |
Latin Name |
Pyrola calliantha |
English Name |
Chinese pyrola |
Chinese Pinyin Name |
Lu Xian Cao |
中文名 |
鹿衔草 |
TCM Properties |
Warm,Sweet,Bitter |
TCM Meridians |
Liver,Kidney |
Therapeutic Class English |
For dispelling wind-dampness |
Therapeutic Class Chinese |
祛风湿 |
Functions |
relieve rheumatic conditions, strengthen the tendons and bones, and arrest bleeding |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
FJ378582 |
Barcode Source |
GenBank |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF2182 | Plus and Minus Qi Benefiting Decoction | 加减益气固冲汤 |
| TCMF2386 | Pain Control Decoction | 蠲痛汤 |
| TCMF3598 | Feng Tong Pills | 风痛丸 |
| TCMF4284 | Jin Gu Ning Cha Ji | 筋骨宁搽剂 |
| TCMF4653 | Nan Kang Tablets | 男康片 |
| TCMF488 | Zhuang Gu Shen Jin Capsule | 壮骨伸筋胶囊 |
| TCMF5655 | Ru He San Jie Tablets | 乳核散结片 |
| TCMF599 | Nan Kang Tablet | 男康片 |
| TCMF654 | Ru He San Jie Tablet | 乳核散结片 |
| TCMFx2072 | Five Herb Nephritis Decoction | 五草汤 |
Showing 1 to 10 of 14 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 |
| TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT112 | ADORA3 | Adenosine A3 receptor | GPCR | P0DMS8 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| TCMT13 | APEX1 | DNA-(apurinic or apyrimidinic site) lyase | Lyase | P27695 |
| TCMT130 | ALOX5 | Arachidonate 5-lipoxygenase | Oxidoreductase | P09917 |
| TCMT131 | ACHE | Acetylcholinesterase | Hydrolase | P22303 |
| TCMT132 | BCHE | Butyrylcholinesterase | Hydrolase | P06276 |
| TCMT133 | CA1 | Carbonic anhydrase I | Lyase | P00915 |
Showing 1 to 10 of 118 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1090 | Human immunodeficiency virus type 1 integrase |
| TCMT1092 | Fatty acid synthase |
| TCMT1093 | Enoyl-acyl-carrier protein reductase |
| TCMT1094 | 3-oxoacyl-acyl-carrier protein reductase |
| TCMT1099 | Neuraminidase |
| TCMT1109 | Reverse transcriptase |
| TCMT1121 | Sialidase |
| TCMT1136 | Neuraminidase |
| TCMT1178 | Actinomyces viscosus |
| TCMT1208 | Escherichia coli K12 |
Showing 1 to 10 of 29 entries
Ingredient Structrues
Ingredient ID: TCMC991
Formula: C9H6O4
Ingredient ID: TCMC991
| Common Name | Daphnetin |
| IUPAC Name | 7,8-dihydroxychromen-2-one |
| Canonical SMILES | O=c1ccc2c(o1)c(O)c(cc2)O |
| Standard InCHI | InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H |
| Standard InCHIKey | ATEFPOUAMCWAQS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL244948]; PubChem [5280569]; |
| Reference of Component-Ingredient Pair | 21837973 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC949
Formula: C9H6O2
Ingredient ID: TCMC949
| Common Name | Coumarin |
| IUPAC Name | chromen-2-one |
| Canonical SMILES | O=c1ccc2c(o1)cccc2 |
| Standard InCHI | InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H |
| Standard InCHIKey | ZYGHJZDHTFUPRJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL6466]; PubChem [323]; |
| Reference of Component-Ingredient Pair | 28108177 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1359 | Pyrola calliantha | Lu Xian Cao | 鹿衔草 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1656 | Angelica decursiva | Qian Hu | 前胡 |
| TCMH1658 | Euphorbia lathyris | Qian Jin Zi | 千金子 |
| TCMH1667 | Fagopyrum esculentum | Qiao Mai | 荞麦 |
| TCMH1706 | Dianthus superbus | Qu Mai | 瞿麦 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1742 | Cinnamomum cassia | Rou Gui | 肉桂 |
Showing 1 to 10 of 41 entries
Ingredient ID: TCMC787
Formula: C12H8O4
Ingredient ID: TCMC787
| Common Name | Bergapten |
| IUPAC Name | 4-methoxyfuro[3,2-g]chromen-7-one |
| Canonical SMILES | COc1c2ccc(=O)oc2cc2c1cco2 |
| Standard InCHI | InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3 |
| Standard InCHIKey | BGEBZHIAGXMEMV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL24171]; PubChem [2355]; |
| Reference of Component-Ingredient Pair | 22407843 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH118 | Angelica dahurica | Bai Zhi | 白芷 |
| TCMH119 | Angelica dahurica | Bai Zhi Jin Gao Fen | 白芷浸膏粉 |
| TCMH1277 | Alpinia officinarum | Liang Jiang | 良姜 |
| TCMH1359 | Pyrola calliantha | Lu Xian Cao | 鹿衔草 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1656 | Angelica decursiva | Qian Hu | 前胡 |
| TCMH1782 | Ruta graveolens | San Ya Ku | 三桠苦 |
Showing 1 to 10 of 36 entries
Ingredient ID: TCMC6954
Formula: C18H24O7
Ingredient ID: TCMC6954
| Common Name | Renifolin |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[(4-hydroxy-2,7-dimethyl-5,8-dihydronaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(C)cc(c3c2CC(=CC3)C)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C18H24O7/c1-8-3-4-10-11(5-8)17(9(2)6-12(10)20)25-18-16(23)15(22)14(21)13(7-19)24-18/h3,6,13-16,18-23H,4-5,7H2,1-2H3/t13-,14-,15+,16-,18+/m1/s1 |
| Standard InCHIKey | LQVPXEJSWXVRLA-QFXBJFAPSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [90471769]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6810
Formula: C30H28O15
Ingredient ID: TCMC6810
| Common Name | Galloylhyperin |
| IUPAC Name | [6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl] 3,5-dihydroxy-4-methoxybenzoate |
| Canonical SMILES | OCC1CC(Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)C(C(C1O)O)OC(=O)c1cc(O)c(c(c1)O)OC |
| Standard InCHI | InChI=1S/C30H28O15/c1-42-27-18(36)5-12(6-19(27)37)30(41)45-28-21(7-13(10-31)23(38)25(28)40)44-29-24(39)22-17(35)8-14(32)9-20(22)43-26(29)11-2-3-15(33)16(34)4-11/h2-6,8-9,13,21,23,25,28,31-38,40H,7,10H2,1H3 |
| Standard InCHIKey | ICUQMQMFKIFGTO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [53399221]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4658
Formula: C13H18O7
Ingredient ID: TCMC4658
| Common Name | Isohomoarbutin |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methylphenoxy)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc(cc2C)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C13H18O7/c1-6-4-7(15)2-3-8(6)19-13-12(18)11(17)10(16)9(5-14)20-13/h2-4,9-18H,5H2,1H3/t9-,10-,11+,12-,13-/m1/s1 |
| Standard InCHIKey | XHEKEYHCIIMZRR-UJPOAAIJSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5318573]; |
| Reference of Component-Ingredient Pair | US2009186358 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4611
Formula: C13H18O7
Ingredient ID: TCMC4611
| Common Name | Homoarbutin |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-3-methylphenoxy)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc(c(c2)C)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C13H18O7/c1-6-4-7(2-3-8(6)15)19-13-12(18)11(17)10(16)9(5-14)20-13/h2-4,9-18H,5H2,1H3/t9-,10-,11+,12-,13-/m1/s1 |
| Standard InCHIKey | SUSHDSMGFVANCQ-UJPOAAIJSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5318079]; |
| Reference of Component-Ingredient Pair | 4986835 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC454
Formula: C30H49NO2
Ingredient ID: TCMC454
| Common Name | 3-Hydroxylup-20(29)-En-28-Amide |
| IUPAC Name | (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxamide |
| Canonical SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=N)O |
| Standard InCHI | InChI=1S/C30H49NO2/c1-18(2)19-10-15-30(25(31)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(32)26(3,4)21(27)11-14-29(22,28)7/h19-24,32H,1,8-17H2,2-7H3,(H2,31,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1 |
| Standard InCHIKey | MUWODHNJOGREGP-FZFNOLFKSA-N |
| External Identifiers | ChEMBL [CHEMBL583224]; PubChem [10161414]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3966
Formula: C29H50O
Ingredient ID: TCMC3966
| Common Name | Sitosterol,Β-Sitosterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | CC[C@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | KZJWDPNRJALLNS-FBZNIEFRSA-N |
| External Identifiers | ChEMBL [CHEMBL221542]; PubChem [457801]; |
| Reference of Component-Ingredient Pair | 23115546 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH121 | Biota orientalis | Bai Zi Ren | 柏子仁 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH1359 | Pyrola calliantha | Lu Xian Cao | 鹿衔草 |
| TCMH1368 | Apocyni veneti folium | Luo Bu Ma Ye | 罗布麻叶 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
Showing 1 to 10 of 71 entries
Ingredient ID: TCMC3765
Formula: C13H18O7
Ingredient ID: TCMC3765
| Common Name | Homoarbutin |
| IUPAC Name | 2-(hydroxymethyl)-6-(4-hydroxy-3-methylphenoxy)oxane-3,4,5-triol |
| Canonical SMILES | OCC1OC(Oc2ccc(c(c2)C)O)C(C(C1O)O)O |
| Standard InCHI | InChI=1S/C13H18O7/c1-6-4-7(2-3-8(6)15)19-13-12(18)11(17)10(16)9(5-14)20-13/h2-4,9-18H,5H2,1H3 |
| Standard InCHIKey | SUSHDSMGFVANCQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1997201]; PubChem [324796]; |
| Reference of Component-Ingredient Pair | 4986835 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3046
Formula: C7H8O2
Ingredient ID: TCMC3046
| Common Name | 2,5-Dihydroxytoluene |
| IUPAC Name | 2-methylbenzene-1,3-diol |
| Canonical SMILES | Oc1cccc(c1C)O |
| Standard InCHI | InChI=1S/C7H8O2/c1-5-6(8)3-2-4-7(5)9/h2-4,8-9H,1H3 |
| Standard InCHIKey | ZTMADXFOCUXMJE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL2332773]; PubChem [11843]; |
| Reference of Component-Ingredient Pair | 19160752 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2603
Formula: C7H8O2
Ingredient ID: TCMC2603
| Common Name | Methylhydroquinone |
| IUPAC Name | 2-methylbenzene-1,4-diol |
| Canonical SMILES | Oc1ccc(c(c1)C)O |
| Standard InCHI | InChI=1S/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3 |
| Standard InCHIKey | CNHDIAIOKMXOLK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL450917]; PubChem [7253]; |
| Reference of Component-Ingredient Pair | 19662873 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2476
Formula: C12H10O2
Ingredient ID: TCMC2476
| Common Name | Chimaphilin |
| IUPAC Name | 2,7-dimethylnaphthalene-1,4-dione |
| Canonical SMILES | Cc1ccc2c(c1)C(=O)C(=CC2=O)C |
| Standard InCHI | InChI=1S/C12H10O2/c1-7-3-4-9-10(5-7)12(14)8(2)6-11(9)13/h3-6H,1-2H3 |
| Standard InCHIKey | YZACZIYTZCJVSN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL495277]; PubChem [101211]; |
| Reference of Component-Ingredient Pair | 24301035 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2379
Formula: C7H14O6
Ingredient ID: TCMC2379
| Common Name | Pinitol |
| IUPAC Name | n.a. |
| Canonical SMILES | CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5-,6+,7+/m0/s1 |
| Standard InCHIKey | DSCFFEYYQKSRSV-KLJZZCKASA-N |
| External Identifiers | ChEMBL [CHEMBL493737]; PubChem [N/A]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2204
Formula: C9H6O3
Ingredient ID: TCMC2204
| Common Name | Umbelliferone |
| IUPAC Name | 7-hydroxychromen-2-one |
| Canonical SMILES | Oc1ccc2c(c1)oc(=O)cc2 |
| Standard InCHI | InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H |
| Standard InCHIKey | ORHBXUUXSCNDEV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL51628]; PubChem [5281426]; |
| Reference of Component-Ingredient Pair | 24685503 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1139 | Radix euphorbiae pekinensis | Jing Da Ji | 京大戟 |
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH1197 | Selaginella tamariscina | Juan Bai | 卷柏 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH1214 | Picrasma quassioides | Ku Mu | 苦木 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1245 | Stellera chamaejasme | Lang Du | 狼毒 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 76 entries
Ingredient ID: TCMC1982
Formula: C15H10O7
Ingredient ID: TCMC1982
| Common Name | Quercetin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one |
| Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H |
| Standard InCHIKey | REFJWTPEDVJJIY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL50]; PubChem [5280343]; |
| Reference of Component-Ingredient Pair | 26766292 |
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 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
| TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
Showing 1 to 10 of 278 entries
Ingredient ID: TCMC1956
Formula: C7H6O4
Ingredient ID: TCMC1956
| Common Name | Protocatechuic Acid |
| IUPAC Name | 3,4-dihydroxybenzoic acid |
| Canonical SMILES | OC(=O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) |
| Standard InCHIKey | YQUVCSBJEUQKSH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL37537]; PubChem [72]; |
| Reference of Component-Ingredient Pair | 24685503 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH10 | Blumea balsamifera | Ai Pian | 艾片 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH11 | Blumea balsamifera | Ai Tan | 艾炭 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
Showing 1 to 10 of 194 entries
Ingredient ID: TCMC1551
Formula: C12H8O4
Ingredient ID: TCMC1551
| Common Name | Methoxsalen |
| IUPAC Name | 9-methoxyfuro[3,2-g]chromen-7-one |
| Canonical SMILES | COc1c2oc(=O)ccc2cc2c1occ2 |
| Standard InCHI | InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3 |
| Standard InCHIKey | QXKHYNVANLEOEG-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL416]; PubChem [4114]; |
| Reference of Component-Ingredient Pair | 25455453 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1359 | Pyrola calliantha | Lu Xian Cao | 鹿衔草 |
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1542 | Radix adenophorae | Nan Sha Shen | 南沙参 |
| TCMH1628 | Fructus psoraleae corylifoliae | Po Gu Zhi | 破故纸 |
| TCMH1656 | Angelica decursiva | Qian Hu | 前胡 |
| TCMH1782 | Ruta graveolens | San Ya Ku | 三桠苦 |
| TCMH1866 | Cnidium monnieri | She Chuang Zi | 蛇床子 |
| TCMH1872 | Cnidium monnieri | She Ma Zi | 蛇麻子 |
| TCMH193 | Psoralea corylifolia | Bu Gu Zhi | 补骨脂 |
Showing 1 to 10 of 20 entries
Ingredient ID: TCMC1202
Formula: C7H6O5
Ingredient ID: TCMC1202
| Common Name | Gallic Acid |
| IUPAC Name | 3,4,5-trihydroxybenzoic acid |
| Canonical SMILES | OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) |
| Standard InCHIKey | LNTHITQWFMADLM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL288114]; PubChem [370]; |
| Reference of Component-Ingredient Pair | 23800587 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1025 | Loropetalum chinense | Ji Mu Ye Jin Gao | 继木叶浸膏 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
| TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
| TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
Showing 1 to 10 of 168 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1202 | C7H6O5 | Gallic Acid | 170.02 | -1.6207 | 1.68 | 0.002 | 2 | 4 | 97.99 | 5 | 1 | 12 | 0 |
| TCMC1551 | C12H8O4 | Methoxsalen | 216.04 | 0.0641 | 2.34 | 1.69 | 1 | 0 | 48.67 | 2 | 3 | 16 | 0 |
| TCMC1956 | C7H6O4 | Protocatechuic Acid | 154.03 | -1.1604 | 1.79 | 0.536 | 2 | 3 | 77.76 | 4 | 1 | 11 | 0 |
| TCMC1982 | C15H10O7 | Quercetin | 302.04 | -2.8012 | 2.34 | 1.381 | 2 | 5 | 127.45 | 6 | 3 | 22 | 0 |
| TCMC2204 | C9H6O3 | Umbelliferone | 162.03 | -0.1903 | 2.12 | 1.532 | 1 | 1 | 46.53 | 1 | 2 | 12 | 0 |
| TCMC2379 | C7H14O6 | Pinitol | 194.08 | -2.6557 | 1.57 | -1.797 | 6 | 5 | 110.38 | 7 | 1 | 13 | 0 |
| TCMC2476 | C12H10O2 | Chimaphilin | 186.07 | 0.9219 | 2.56 | 2.464 | 2 | 0 | 34.14 | 2 | 2 | 14 | 0 |
| TCMC2603 | C7H8O2 | Methylhydroquinone | 124.05 | -0.2786 | 2.01 | 0.982 | 0 | 2 | 40.46 | 3 | 1 | 9 | 0 |
| TCMC3046 | C7H8O2 | 2,5-Dihydroxytoluene | 124.0524295 | -0.2786 | 2.01 | 0.982 | 0 | 2 | 40.46 | 0 | 1 | 9 | 0 |
| TCMC3765 | C13H18O7 | Homoarbutin | 286.1052529 | -2.0255 | 2.12 | -0.126 | 5 | 5 | 119.61 | 3 | 2 | 20 | 0 |
Showing 1 to 10 of 19 entries
Download Data
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