Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D05PTT
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| Former ID |
DNC011370
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| Drug Name |
ROSMARINIC ACID
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| Synonyms |
rosmarinic acid; 20283-92-5; Rosemary acid; (R)-rosmarinic acid; UNII-MQE6XG29YI; Rosmarinate; MQE6XG29YI; CHEMBL324842; CHEBI:50371; Labiatenic acid; C18H16O8; (R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid; 3,4-Dihydroxycinnamic acid (R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl ester; (2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid; 537-15-5; Rosemaric acid; (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-propanoic acid
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| Drug Type |
Small molecular drug
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| Indication | Rheumatoid arthritis [ICD-11: FA20] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| 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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| CAS Number |
CAS 20283-92-5
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:50371
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Induced myeloid leukemia cell differentiation protein Mcl-1 (MCL1) | Target Info | Inhibitor | [2] |
| Tyrosinase (TYR) | Target Info | Inhibitor | [1] | |
| BioCyc | (S)-reticuline biosynthesis | |||
| Eumelanin biosynthesis | ||||
| L-dopachrome biosynthesis | ||||
| KEGG Pathway | Tyrosine metabolism | |||
| Riboflavin metabolism | ||||
| Metabolic pathways | ||||
| Melanogenesis | ||||
| PI3K-Akt signaling pathway | ||||
| MicroRNAs in cancer | ||||
| NetPath Pathway | TCR Signaling Pathway | |||
| Panther Pathway | Apoptosis signaling pathway | |||
| CCKR signaling map ST | ||||
| Pathwhiz Pathway | Riboflavin Metabolism | |||
| Tyrosine Metabolism | ||||
| Pathway Interaction Database | E2F transcription factor network | |||
| Direct p53 effectors | ||||
| IL6-mediated signaling events | ||||
| HIF-1-alpha transcription factor network | ||||
| WikiPathways | Dopamine metabolism | |||
| Apoptosis | ||||
| miR-targeted genes in muscle cell - TarBase | ||||
| miR-targeted genes in lymphocytes - TarBase | ||||
| miR-targeted genes in leukocytes - TarBase | ||||
| Apoptosis Modulation and Signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | A novel ring-expanded product with enhanced tyrosinase inhibitory activity from classical Fe-catalyzed oxidation of rosmarinic acid, a potent antio... Bioorg Med Chem Lett. 2010 Dec 15;20(24):7393-6. | |||
| REF 2 | In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6. | |||
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