Drug Details
| General Information of the Drug (ID: DR1867) | ||||
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| Name |
Thearubigin
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| Synonyms |
Thearubigin
Click to Show/Hide
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| Molecular Type |
Small molecule
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| Disease | Acute lung injury [ICD-11: NB32] | Investigative | [1] | |
| Structure |
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Click to Download Mol2D MOL |
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| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | ||||
| Formula |
C43H34O22
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| PubChem CID | ||||
| Canonical SMILES |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C(C(=C3)C(CC(=O)O)C4C(CC5=C(C=C(C=C5O4)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)C(=O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O
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| InChI |
1S/C43H34O22/c44-17-7-23(46)21-11-32(64-42(60)15-3-25(48)36(55)26(49)4-15)39(62-30(21)9-17)14-1-19(35(41(58)59)38(57)29(52)2-14)20(13-34(53)54)40-33(12-22-24(47)8-18(45)10-31(22)63-40)65-43(61)16-5-27(50)37(56)28(51)6-16/h1-10,20,32-33,39-40,44-51,55-56H,11-13H2,(H,52,57)(H,53,54)(H,58,59)/t20?,32-,33-,39-,40-/m1/s1
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| InChIKey |
FNRFUGUISXPIKU-HYMCCRAQSA-N
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| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug | ||||||
| Genistein | Glycine max | Click to Show/Hide the Molecular Data of This NP | ||||
| Achieving Therapeutic Synergy | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [2] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
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| Biological
Regulation |
Induction | Cell cycle arrest in G2/M phase | ||||
| In-vitro Model | PC-3 | CVCL_0035 | Prostate carcinoma | Homo sapiens | ||
| Experimental
Result(s) |
Thearubigin and genistein combination showed synergistic effects on human prostate tumor cell (PC-3) growth via cell cycle arrest. | |||||
| Target and Pathway | ||||
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| Target(s) | Toll-like receptor 4 (TLR4) | Molecule Info | [3] | |
| KEGG Pathway | NF-kappa B signaling pathway | Click to Show/Hide | ||
| 2 | HIF-1 signaling pathway | |||
| 3 | Phagosome | |||
| 4 | PI3K-Akt signaling pathway | |||
| 5 | Toll-like receptor signaling pathway | |||
| 6 | Pathogenic Escherichia coli infection | |||
| 7 | Salmonella infection | |||
| 8 | Pertussis | |||
| 9 | Legionellosis | |||
| 10 | Leishmaniasis | |||
| 11 | Chagas disease (American trypanosomiasis) | |||
| 12 | Malaria | |||
| 13 | Toxoplasmosis | |||
| 14 | Amoebiasis | |||
| 15 | Tuberculosis | |||
| 16 | Hepatitis B | |||
| 17 | Measles | |||
| 18 | Influenza A | |||
| 19 | Proteoglycans in cancer | |||
| 20 | Inflammatory bowel disease (IBD) | |||
| 21 | Rheumatoid arthritis | |||
| NetPath Pathway | IL5 Signaling Pathway | Click to Show/Hide | ||
| 2 | IL2 Signaling Pathway | |||
| 3 | IL4 Signaling Pathway | |||
| Panther Pathway | Toll receptor signaling pathway | Click to Show/Hide | ||
| Pathway Interaction Database | Endogenous TLR signaling | Click to Show/Hide | ||
| Reactome | Ligand-dependent caspase activation | Click to Show/Hide | ||
| 2 | Toll Like Receptor 4 (TLR4) Cascade | |||
| 3 | MyD88:Mal cascade initiated on plasma membrane | |||
| 4 | MyD88-independent TLR3/TLR4 cascade | |||
| 5 | TRIF-mediated programmed cell death | |||
| 6 | MyD88 deficiency (TLR2/4) | |||
| 7 | IRAK4 deficiency (TLR2/4) | |||
| 8 | Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon | |||
| 9 | IKK complex recruitment mediated by RIP1 | |||
| 10 | TRAF6 mediated induction of TAK1 complex | |||
| WikiPathways | Toll-like receptor signaling pathway | Click to Show/Hide | ||
| 2 | Toll-Like Receptors Cascades | |||
| 3 | MyD88:Mal cascade initiated on plasma membrane | |||
| 4 | MyD88-independent cascade | |||
| 5 | Primary Focal Segmental Glomerulosclerosis FSGS | |||
| 6 | Spinal Cord Injury | |||
| 7 | Corticotropin-releasing hormone | |||
| 8 | Pathogenic Escherichia coli infection | |||
| 9 | Regulation of toll-like receptor signaling pathway | |||
