Component ID |
TCMH118 |
Latin Name |
Angelica dahurica |
English Name |
Dahurian angelica |
Chinese Pinyin Name |
Bai Zhi |
中文名 |
白芷 |
TCM Properties |
Warm,Pungent |
TCM Meridians |
|
Therapeutic Class English |
For relieving exterior syndrome |
Therapeutic Class Chinese |
解表 |
Functions |
dispel wind, remove damp, clear the stuffed nose, relieve pain, and promote the subsidence ofswelling and drainage of pus |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Zhejiang Province, Hebei Province,Beijing,Tianjin |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAK3312-14 |
Barcode Source |
BOLDSYSTEMS |
Prescription ID | Prescription English Name | Prescription Chinese Name |
---|
Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
---|---|---|---|---|
TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
TCMT206 | CYP2A6 | Cytochrome P450 2A6 | Oxidoreductase | P11509 |
TCMT207 | BACE1 | Beta-secretase 1 | Protease | P56817 |
TCMT208 | MAOA | Monoamine oxidase A | Oxidoreductase | P21397 |
TCMT232 | ABCB1 | P-glycoprotein 1 | Transporter | P08183 |
TCMT31 | CYP2C19 | Cytochrome P450 2C19 | Oxidoreductase | P33261 |
TCMT33 | CYP3A4 | Cytochrome P450 3A4 | Oxidoreductase | P08684 |
TCMT34 | CYP2D6 | Cytochrome P450 2D6 | Oxidoreductase | P10635 |
TCMT8 | KDM4E | Lysine-specific demethylase 4D-like | Oxidoreductase | B2RXH2 |
TCMT87 | CYP2C9 | Cytochrome P450 2C9 | Oxidoreductase | P11712 |
Target ID | Target Name |
---|---|
TCMT1112 | Quinolone resistance protein norA |
Ingredient ID: TCMC846
Formula: C17H18O7
Ingredient ID: TCMC787
Formula: C12H8O4
Ingredient ID: TCMC6998
Formula: C17H16O6
Ingredient ID: TCMC6300
Formula: C18H20O7
Ingredient ID: TCMC6299
Formula: C17H18O6
Ingredient ID: TCMC6260
Formula: C15H24
Ingredient ID: TCMC5875
Formula: C16H32O2
Ingredient ID: TCMC5605
Formula: C32H30O11
Ingredient ID: TCMC5563
Formula: C33H30O10
Ingredient ID: TCMC5516
Formula: C34H34O13
Ingredient ID: TCMC4564
Formula: C16H14O4
Ingredient ID: TCMC4415
Formula: C18H36O
Ingredient ID: TCMC4216
Formula: C17H16O6
Ingredient ID: TCMC4201
Formula: C16H14O5
Ingredient ID: TCMC4054
Formula: C17H16O6
Ingredient ID: TCMC4010
Formula: C12H24
Ingredient ID: TCMC3996
Formula: C11H22
Ingredient ID: TCMC3942
Formula: C10H16
Ingredient ID: TCMC3776
Formula: C16H18O9
Ingredient ID: TCMC3769
Formula: C14H14O4
Ingredient ID: TCMC3396
Formula: C18H14O3
Ingredient ID: TCMC3370
Formula: C15H16O8
Ingredient ID: TCMC3269
Formula: C14H26O2
Ingredient ID: TCMC3226
Formula: C16H14O4
Ingredient ID: TCMC3178
Formula: C9H16O2
Ingredient ID: TCMC3171
Formula: C16H14O5
Ingredient ID: TCMC3149
Formula: C15H30
Ingredient ID: TCMC3101
Formula: C17H36O
Ingredient ID: TCMC3094
Formula: C14H28
Ingredient ID: TCMC3083
Formula: C11H22
Ingredient ID: TCMC3073
Formula: C13H26O2
Ingredient ID: TCMC2968
Formula: C14H30O
Ingredient ID: TCMC2943
Formula: C14H28O2
Ingredient ID: TCMC2880
Formula: C11H20O2
Ingredient ID: TCMC1866
Formula: C17H16O5
Ingredient ID: TCMC1818
Formula: C16H16O6
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC787 | C12H8O4 | Bergapten | 216.04 | 0.0641 | 2.34 | 1.69 | 1 | 0 | 48.67 | 2 | 3 | 16 | 0 |
TCMC846 | C17H18O7 | Byakangelicin | 334.11 | -0.4553 | 2.56 | 0.742 | 3 | 2 | 98.36 | 10 | 3 | 24 | 0 |
TCMC1818 | C16H16O6 | Oxypeucedanin Hydrate | 304.09 | -0.4035 | 2.56 | 1.186 | 3 | 2 | 89.13 | 8 | 3 | 22 | 0 |
TCMC1866 | C17H16O5 | Phellopterin | 300.1 | 1.4778 | 2.78 | 2.447 | 1 | 0 | 57.9 | 7 | 3 | 22 | 0 |
TCMC2880 | C11H20O2 | 10-Undecenoic Acid | 183.1385048 | -1.6477 | 2.45 | 3.878 | 2 | 0 | 40.13 | 9 | 0 | 13 | 0 |
TCMC2943 | C14H28O2 | Ethyllaurate | 228.2089301 | -2.2443 | 2.78 | 6.038 | 2 | 0 | 26.3 | 12 | 0 | 16 | 2 |
TCMC2968 | C14H30O | 1-Tetradecanol | 214.2296656 | -3.8534 | 2.89 | 6.541 | 1 | 1 | 20.23 | 12 | 0 | 15 | 2 |
TCMC3073 | C13H26O2 | Tridecanoic Acid | 213.185455 | -3.7115 | 2.67 | 5.382 | 2 | 0 | 40.13 | 11 | 0 | 15 | 2 |
TCMC3083 | C11H22 | Undecene | 154.1721507 | -1.0016 | 2.67 | 6.233 | 0 | 0 | 0 | 8 | 0 | 11 | 1 |
TCMC3094 | C14H28 | 1-Tetradecene | 196.2191009 | -1.8656 | 3 | 7.94 | 0 | 0 | 0 | 11 | 0 | 14 | 2 |
TCMC3101 | C17H36O | 1-Heptadecanol | 256.2766158 | -4.7174 | 3.22 | 8.248 | 1 | 1 | 20.23 | 15 | 0 | 18 | 2 |
TCMC3149 | C15H30 | 1-Pentadecene | 210.234751 | -2.1536 | 3.11 | 8.509 | 0 | 0 | 0 | 12 | 0 | 15 | 2 |
TCMC3171 | C16H14O5 | (+)-Oxypeucedanin | 286.0841235 | 0.4308 | 2.67 | 2.728 | 2 | 0 | 51.97 | 3 | 4 | 21 | 0 |
TCMC3178 | C9H16O2 | 8-Nonenoic Acid | 155.1072047 | -1.0717 | 2.23 | 2.74 | 2 | 0 | 40.13 | 7 | 0 | 11 | 0 |
TCMC3226 | C16H14O4 | Alloimperatorin | 270.0892089 | 1.6008 | 2.78 | 3.376 | 1 | 1 | 50.44 | 2 | 3 | 20 | 0 |
TCMC3269 | C14H26O2 | Exaltolide | 226.1932801 | -3.2127 | 2.78 | 5.487 | 2 | 0 | 26.3 | 0 | 1 | 16 | 1 |
TCMC3370 | C15H16O8 | Aspartate,Asparagic Acid,Asparaginic Acid,Aspartic Acid,Skimmin | 324.0845175 | -1.9649 | 2.23 | -0.622 | 6 | 4 | 116.45 | 3 | 3 | 23 | 0 |
TCMC3396 | C18H14O3 | Methylene Tanshinquinone | 278.0942943 | 0.309 | 3.11 | 3.772 | 2 | 0 | 47.28 | 0 | 4 | 21 | 0 |
TCMC3769 | C14H14O4 | Marmesin | 246.0892089 | 0.3295 | 2.56 | 2.617 | 2 | 1 | 46.53 | 1 | 3 | 18 | 0 |
TCMC3776 | C16H18O9 | Scopolin | 354.0950822 | -1.9212 | 2.23 | 0.504 | 6 | 4 | 125.68 | 4 | 3 | 25 | 0 |
TCMC3942 | C10H16 | Β-Phellandrene | 136.1252005 | 1.5645 | 2.56 | 4.472 | 0 | 0 | 0 | 1 | 1 | 10 | 0 |
TCMC3996 | C11H22 | Methyl Cyclodecane | 154.1721507 | -1.3714 | 2.67 | 6.198 | 0 | 0 | 0 | 0 | 1 | 11 | 1 |
TCMC4010 | C12H24 | Nonyl Cyclopropane | 168.1878008 | -1.504 | 2.78 | 6.767 | 0 | 0 | 0 | 8 | 1 | 12 | 1 |
TCMC4054 | C17H16O6 | Neobyakangelicol | 316.0946882 | 0.6326 | 2.67 | 1.63 | 2 | 1 | 68.9 | 5 | 3 | 23 | 0 |
TCMC4201 | C16H14O5 | Pabulenol | 286.0841235 | 0.6844 | 2.67 | 2.074 | 2 | 1 | 59.67 | 4 | 3 | 21 | 0 |
TCMC4216 | C17H16O6 | Byakangelicol | 316.0946882 | 0.379 | 2.67 | 2.284 | 2 | 0 | 61.2 | 4 | 4 | 23 | 0 |
TCMC4415 | C18H36O | 9(Z)-Octadecen-1-Ol | 268.2766158 | -2.8744 | 3.33 | 8.301 | 1 | 1 | 20.23 | 15 | 0 | 19 | 2 |
TCMC4564 | C16H14O4 | Alloisoimperatorin | 270.0892089 | 1.6008 | 2.78 | 3.165 | 1 | 1 | 50.44 | 2 | 3 | 20 | 0 |
TCMC5516 | C34H34O13 | Dahuribirin B | 650.1999411 | 0.6027 | 3.77 | 2.792 | 5 | 2 | 148.42 | 9 | 7 | 47 | 0 |
TCMC5563 | C33H30O10 | Dahuribirin A | 586.1838972 | 2.5876 | 3.99 | 4.941 | 3 | 0 | 98.73 | 7 | 7 | 43 | 0 |
TCMC5605 | C32H30O11 | Dahuribirin E | 590.1788118 | 0.7063 | 3.77 | 3.68 | 5 | 2 | 129.96 | 7 | 7 | 43 | 0 |
TCMC5875 | C16H32O2 | 13-Methyl Pentadecanoic Acid | 255.2324052 | -3.3225 | 3 | 7.028 | 2 | 0 | 40.13 | 13 | 0 | 18 | 2 |
TCMC6260 | C15H24 | Α-Guriunene | 204.1878008 | 2.5253 | 3.11 | 5.944 | 0 | 0 | 0 | 0 | 3 | 15 | 1 |
TCMC6299 | C17H18O6 | Oxypeucedanin Methanolate | 318.1103383 | 0.0728 | 2.67 | 2.229 | 3 | 1 | 68.9 | 5 | 3 | 23 | 0 |
TCMC6300 | C18H20O7 | Byakangelicin | 348.120903 | 0.021 | 2.67 | 1.785 | 3 | 1 | 78.13 | 6 | 3 | 25 | 0 |
TCMC6998 | C17H16O6 | Neobyakangelicol | 316.0946882 | 0.6326 | 2.67 | 1.63 | 2 | 1 | 68.9 | 5 | 3 | 23 | 0 |