Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D05PTT
|
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| Former ID |
DNC011370
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| Drug Name |
ROSMARINIC ACID
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| Drug Type |
Small molecular drug
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| Indication | Rheumatoid arthritis [ICD9: 710-719, 714; ICD10:M05-M06] | Investigative | [531245] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C18H16O8
|
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| Canonical SMILES |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
|
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| InChI |
1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
|
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| InChIKey |
DOUMFZQKYFQNTF-WUTVXBCWSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Tyrosine oxidase | Target Info | Inhibitor | [531245] | |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Target Info | Inhibitor | [531262] | ||
| NetPath Pathway | TCR Signaling Pathway | ||||
| PANTHER Pathway | Apoptosis signaling pathway | ||||
| CCKR signaling map ST | |||||
| Pathway Interaction Database | E2F transcription factor network | ||||
| Direct p53 effectors | |||||
| IL6-mediated signaling events | |||||
| HIF-1-alpha transcription factor network | |||||
| PathWhiz Pathway | Riboflavin Metabolism | ||||
| Tyrosine Metabolism | |||||
| References | |||||
| Ref 531245 | Bioorg Med Chem Lett. 2010 Dec 15;20(24):7393-6. Epub 2010 Oct 14.A novel ring-expanded product with enhanced tyrosinase inhibitory activity from classical Fe-catalyzed oxidation of rosmarinic acid,a potent antioxidative Lamiaceae polyphenol. | ||||
| Ref 531262 | Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6. Epub 2010 Oct 21.In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). | ||||
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