Component ID |
TCMH26 |
Latin Name |
Eucalyptus globulus |
English Name |
Eucalyptus leaf |
Chinese Pinyin Name |
An Ye |
中文名 |
按叶 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
For relieving exterior syndrome |
Therapeutic Class Chinese |
解表 |
Functions |
disperse wind-heat |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
CFDA |
Barcode ID |
ITSAL906-14 |
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 |
TCMT130 | ALOX5 | Arachidonate 5-lipoxygenase | Oxidoreductase | P09917 |
TCMT131 | ACHE | Acetylcholinesterase | Hydrolase | P22303 |
TCMT133 | CA1 | Carbonic anhydrase I | Lyase | P00915 |
TCMT134 | CA2 | Carbonic anhydrase II | Lyase | P00918 |
TCMT136 | CA12 | Carbonic anhydrase XII | Lyase | O43570 |
TCMT138 | CA7 | Carbonic anhydrase VII | Lyase | P43166 |
TCMT142 | CA4 | Carbonic anhydrase IV | Lyase | P22748 |
TCMT150 | RORC | Nuclear receptor ROR-gamma | Nuclear receptor | P51449 |
TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
Target ID | Target Name |
---|---|
TCMT1178 | Actinomyces viscosus |
TCMT1210 | Streptococcus sobrinus |
TCMT1211 | Fusobacterium nucleatum |
TCMT1218 | Staphylococcus aureus |
TCMT1229 | Enterococcus faecalis |
TCMT1251 | Candida albicans |
TCMT1346 | Helicobacter pylori |
TCMT1370 | Prevotella melaninogenica |
TCMT1442 | Leishmania donovani |
TCMT1455 | Mycobacterium tuberculosis H37Rv |
Ingredient ID: TCMC960
Formula: C10H12O
Common Name | Cuminaldehyde |
IUPAC Name | 4-propan-2-ylbenzaldehyde |
Canonical SMILES | O=Cc1ccc(cc1)C(C)C |
Standard InCHI | InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3 |
Standard InCHIKey | WTWBUQJHJGUZCY-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL161577]; PubChem [326]; |
Reference of Component-Ingredient Pair | 23035918 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
TCMH1399 | Ephedra sinica | Ma Huang Gao | 麻黄膏 |
TCMH1400 | Ephedra sinica | Ma Huang Gen | 麻黄根 |
TCMH1401 | Ephedra sinica | Ma Huang Jin Gao | 麻黄浸膏 |
TCMH1486 | Ephedra sinica | Mi Ma Huang | 蜜麻黄 |
TCMH1507 | Commiphora myrrha | Mo Xiang | 没香 |
TCMH1508 | Commiphora myrrha | Mo Yao | 没药 |
Ingredient ID: TCMC565
Formula: C18H28O4
Common Name | 5-O-Methylembelin |
IUPAC Name | 2-hydroxy-5-methoxy-3-undecylcyclohexa-2,5-diene-1,4-dione |
Canonical SMILES | CCCCCCCCCCCC1=C(O)C(=O)C=C(C1=O)OC |
Standard InCHI | InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3 |
Standard InCHIKey | KHBJLRRAMCJZLZ-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL471270]; PubChem [171489]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC2770
Formula: C13H16O5
Common Name | Grandinol |
IUPAC Name | 2,4,6-trihydroxy-3-methyl-5-(3-methylbutanoyl)benzaldehyde |
Canonical SMILES | O=Cc1c(O)c(C(=O)CC(C)C)c(c(c1O)C)O |
Standard InCHI | InChI=1S/C13H16O5/c1-6(2)4-9(15)10-12(17)7(3)11(16)8(5-14)13(10)18/h5-6,16-18H,4H2,1-3H3 |
Standard InCHIKey | NGJANBBWZSMYRM-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL225347]; PubChem [11043217]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC2765
Formula: C28H40O6
Common Name | Macrocarpal D |
IUPAC Name | 5-[(1R)-1-[(1R,3aR,4R,7R)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-3,3a,4,5,6,7-hexahydro-2H-azulen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde |
Canonical SMILES | O=Cc1c(O)c(c(c(c1O)C=O)O)[C@@H]([C@@]1(C)CC[C@H]2C1=C[C@@H](CC[C@H]2C)C(O)(C)C)CC(C)C |
Standard InCHI | InChI=1S/C28H40O6/c1-15(2)11-22(23-25(32)19(13-29)24(31)20(14-30)26(23)33)28(6)10-9-18-16(3)7-8-17(12-21(18)28)27(4,5)34/h12-18,22,31-34H,7-11H2,1-6H3/t16-,17-,18-,22+,28+/m1/s1 |
Standard InCHIKey | VUKIJLQDSQXHDI-HTBABXNNSA-N |
External Identifiers | ChEMBL [CHEMBL460117]; PubChem [44566862]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC2764
Formula: C28H38O7
Common Name | Eucalyptone |
IUPAC Name | 5-[1-[(1R,2R)-2-[(1R,3R)-2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde |
Canonical SMILES | O=Cc1c(O)c(c(c(c1O)C=O)O)C([C@@]1(C)CCC(=O)[C@@H]1[C@H]1[C@H](C1(C)C)CCC(=O)C)CC(C)C |
Standard InCHI | InChI=1S/C28H38O7/c1-14(2)11-19(21-25(34)16(12-29)24(33)17(13-30)26(21)35)28(6)10-9-20(32)23(28)22-18(27(22,4)5)8-7-15(3)31/h12-14,18-19,22-23,33-35H,7-11H2,1-6H3/t18-,19?,22-,23-,28-/m1/s1 |
Standard InCHIKey | KGPNGYABEKLGJP-YGRDELDPSA-N |
External Identifiers | ChEMBL [CHEMBL462032]; PubChem [10390702]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC2743
Formula: C28H38O5
Common Name | Macrocarpal C |
IUPAC Name | 5-[(1R)-1-[(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde |
Canonical SMILES | O=Cc1c(O)c(c(c(c1O)C=O)O)[C@@H]([C@@]1(C)CC[C@@H]2[C@@H]1[C@H]1[C@H](C1(C)C)CCC2=C)CC(C)C |
Standard InCHI | InChI=1S/C28H38O5/c1-14(2)11-20(21-25(32)17(12-29)24(31)18(13-30)26(21)33)28(6)10-9-16-15(3)7-8-19-23(22(16)28)27(19,4)5/h12-14,16,19-20,22-23,31-33H,3,7-11H2,1-2,4-6H3/t16-,19+,20-,22+,23+,28+/m0/s1 |
Standard InCHIKey | IEWHEHWXBLPFER-HUCVFKCKSA-N |
External Identifiers | ChEMBL [CHEMBL466994]; PubChem [454459]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC2726
Formula: C28H40O6
Common Name | Macrocarpal H |
IUPAC Name | 5-[(1S)-1-[(1S,4aS,6R,8aS)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde |
Canonical SMILES | O=Cc1c(O)c([C@H]([C@@H]2CCC(=C)[C@H]3[C@@]2(C)CC[C@H](C3)C(O)(C)C)CC(C)C)c(c(c1O)C=O)O |
Standard InCHI | InChI=1S/C28H40O6/c1-15(2)11-18(23-25(32)19(13-29)24(31)20(14-30)26(23)33)21-8-7-16(3)22-12-17(27(4,5)34)9-10-28(21,22)6/h13-15,17-18,21-22,31-34H,3,7-12H2,1-2,4-6H3/t17-,18+,21+,22+,28+/m1/s1 |
Standard InCHIKey | OOAOETHJYYAVCC-GNLPDQNGSA-N |
External Identifiers | ChEMBL [CHEMBL518509]; PubChem [10719242]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC2725
Formula: C28H42O7
Common Name | Macrocarpal I |
IUPAC Name | 5-[(1S)-1-[(1S,4R,4aR,6R,8aS)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde |
Canonical SMILES | O=Cc1c(O)c([C@H]([C@@H]2CC[C@@]([C@H]3[C@@]2(C)CC[C@H](C3)C(O)(C)C)(C)O)CC(C)C)c(c(c1O)C=O)O |
Standard InCHI | InChI=1S/C28H42O7/c1-15(2)11-17(22-24(32)18(13-29)23(31)19(14-30)25(22)33)20-8-10-28(6,35)21-12-16(26(3,4)34)7-9-27(20,21)5/h13-17,20-21,31-35H,7-12H2,1-6H3/t16-,17+,20+,21-,27+,28-/m1/s1 |
Standard InCHIKey | PXQFFMATXFLUPK-CHKSIUCGSA-N |
External Identifiers | ChEMBL [CHEMBL462241]; PubChem [10028546]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC2724
Formula: C28H40O6
Common Name | Macrocarpal B |
IUPAC Name | 5-[(1S)-1-[(1aR,4R,4aR,7S,7aS,7bR)-4-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde |
Canonical SMILES | O=Cc1c(O)c(c(c(c1O)C=O)O)[C@H]([C@@]1(C)CC[C@@H]2[C@@H]1[C@H]1[C@H](C1(C)C)CC[C@@]2(C)O)CC(C)C |
Standard InCHI | InChI=1S/C28H40O6/c1-14(2)11-19(20-24(32)15(12-29)23(31)16(13-30)25(20)33)27(5)9-7-18-22(27)21-17(26(21,3)4)8-10-28(18,6)34/h12-14,17-19,21-22,31-34H,7-11H2,1-6H3/t17-,18-,19-,21-,22-,27-,28-/m1/s1 |
Standard InCHIKey | IBLPTYJTKWQCDX-NGLILROZSA-N |
External Identifiers | ChEMBL [CHEMBL396848]; PubChem [454458]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC2722
Formula: C13H14O6
Common Name | Jensenone |
IUPAC Name | 2,4,6-trihydroxy-5-(3-methylbutanoyl)benzene-1,3-dicarbaldehyde |
Canonical SMILES | O=Cc1c(O)c(C(=O)CC(C)C)c(c(c1O)C=O)O |
Standard InCHI | InChI=1S/C13H14O6/c1-6(2)3-9(16)10-12(18)7(4-14)11(17)8(5-15)13(10)19/h4-6,17-19H,3H2,1-2H3 |
Standard InCHIKey | LGXKQDDWMRYQJK-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL427087]; PubChem [11594161]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC2719
Formula: C28H42O7
Common Name | Macrocarpal J |
IUPAC Name | 5-[1-[(1S,4R,4aR,6R,8aS)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde |
Canonical SMILES | O=Cc1c(O)c(C([C@@H]2CC[C@@]([C@H]3[C@@]2(C)CC[C@H](C3)C(O)(C)C)(C)O)CC(C)C)c(c(c1O)C=O)O |
Standard InCHI | InChI=1S/C28H42O7/c1-15(2)11-17(22-24(32)18(13-29)23(31)19(14-30)25(22)33)20-8-10-28(6,35)21-12-16(26(3,4)34)7-9-27(20,21)5/h13-17,20-21,31-35H,7-12H2,1-6H3/t16-,17?,20+,21-,27+,28-/m1/s1 |
Standard InCHIKey | PXQFFMATXFLUPK-FBWULOCESA-N |
External Identifiers | ChEMBL [CHEMBL463716]; PubChem [177346]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC2591
Formula: C28H40O6
Common Name | Macrocarpal A |
IUPAC Name | 5-[(1R)-1-[(1aR,4R,4aR,7S,7aS,7bR)-4-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde |
Canonical SMILES | O=Cc1c(O)c(c(c(c1O)C=O)O)[C@@H]([C@@]1(C)CC[C@@H]2[C@@H]1[C@H]1[C@H](C1(C)C)CC[C@@]2(C)O)CC(C)C |
Standard InCHI | InChI=1S/C28H40O6/c1-14(2)11-19(20-24(32)15(12-29)23(31)16(13-30)25(20)33)27(5)9-7-18-22(27)21-17(26(21,3)4)8-10-28(18,6)34/h12-14,17-19,21-22,31-34H,7-11H2,1-6H3/t17-,18-,19+,21-,22-,27-,28-/m1/s1 |
Standard InCHIKey | IBLPTYJTKWQCDX-MOTAWSDJSA-N |
External Identifiers | ChEMBL [CHEMBL396609]; PubChem [454457]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC1293
Formula: C7H8O2
Common Name | Guaiacol |
IUPAC Name | 2-methoxyphenol |
Canonical SMILES | COc1ccccc1O |
Standard InCHI | InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3 |
Standard InCHIKey | LHGVFZTZFXWLCP-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL13766]; PubChem [460]; |
Reference of Component-Ingredient Pair | 23449869 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
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 |
TCMH1792 | Morus alba | Sang Pi | 桑皮 |
TCMH1797 | Morus alba | Sang Ye | 桑叶 |
TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
TCMH1839 | Panax ginseng | Shan Shen | 山参 |
Ingredient ID: TCMC1157
Formula: C10H18O
Common Name | Eucalyptol |
IUPAC Name | 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane |
Canonical SMILES | CC12CCC(CC1)C(O2)(C)C |
Standard InCHI | InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3 |
Standard InCHIKey | WEEGYLXZBRQIMU-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL485259]; PubChem [2758]; |
Reference of Component-Ingredient Pair | 26795242 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
TCMH1277 | Alpinia officinarum | Liang Jiang | 良姜 |
TCMH1290 | Ocimum basilicum | Ling Ling Xiang | 零陵香 |
Ingredient ID: TCMC1123
Formula: C15H12O6
Common Name | Eriodictyol |
IUPAC Name | (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one |
Canonical SMILES | Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1 |
Standard InCHIKey | SBHXYTNGIZCORC-ZDUSSCGKSA-N |
External Identifiers | ChEMBL [CHEMBL8996]; PubChem [440735]; |
Reference of Component-Ingredient Pair | 22220589 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
TCMH2005 | Geum japonicum | Shui Yang Mei | 水杨梅 |
TCMH2006 | Geum japonicum | Shui Yang Mei Gen | 水杨梅根 |
TCMH2353 | Lespedeza bicolor | Xue Ren Shen | 血人参 |
TCMH2369 | Gleditsia sinensis | Ya Zao | 牙皂 |
TCMH2569 | Gleditsia sinensis | Zao Jia | 皂荚 |
TCMH2571 | Gleditsia sinensis | Zao Jiao Zhen | 皂角针 |
TCMH26 | Eucalyptus globulus | An Ye | 按叶 |
TCMH440 | Erigeron breviscapus | Deng Zhan Xi Xin | 灯盏细辛 |
TCMH986 | Scutellaria baicalensis | Huang Qin | 黄芩 |
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC1123 | C15H12O6 | Eriodictyol | 288.06 | -2.2747 | 2.45 | 0.363 | 1 | 4 | 107.22 | 5 | 3 | 21 | 0 |
TCMC1157 | C10H18O | Eucalyptol | 154.14 | 1.3109 | 2.45 | 2.595 | 1 | 0 | 9.23 | 3 | 0 | 11 | 0 |
TCMC1293 | C7H8O2 | Guaiacol | 124.05 | -0.5121 | 2.01 | 1.389 | 0 | 1 | 29.46 | 3 | 1 | 9 | 0 |
TCMC2591 | C28H40O6 | Macrocarpal A | 472.28 | -0.1536 | 3.88 | 7.966 | 3 | 4 | 115.06 | 16 | 4 | 34 | 1 |
TCMC2719 | C28H42O7 | Macrocarpal J | 490.29 | -0.5475 | 3.77 | 6.365 | 4 | 5 | 135.29 | 18 | 3 | 35 | 1 |
TCMC2722 | C13H14O6 | Jensenone | 266.08 | -1.4218 | 2.23 | 2.615 | 3 | 3 | 111.9 | 10 | 1 | 19 | 0 |
TCMC2724 | C28H40O6 | Macrocarpal B | 472.28 | -0.1536 | 3.88 | 7.966 | 3 | 4 | 115.06 | 16 | 4 | 34 | 1 |
TCMC2725 | C28H42O7 | Macrocarpal I | 490.29 | -0.5475 | 3.77 | 6.365 | 4 | 5 | 135.29 | 18 | 3 | 35 | 1 |
TCMC2726 | C28H40O6 | Macrocarpal H | 472.28 | -0.0197 | 3.88 | 7.62 | 3 | 4 | 115.06 | 16 | 3 | 34 | 1 |
TCMC2743 | C28H38O5 | Macrocarpal C | 454.27 | 0.7426 | 3.99 | 9.432 | 2 | 3 | 94.83 | 14 | 4 | 33 | 1 |