Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0R1UO
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| Former ID |
DNC013761
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| Drug Name |
2-(2-Methylpropanoyl)-1,3,5-benzenetriol
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| Synonyms |
Phlorisobutyrophenone; 35458-21-0; 2-(2-Methylpropanoyl)-1,3,5-benzenetriol; 1-Propanone, 2-methyl-1-(2,4,6-trihydroxyphenyl)-; CHEMBL20038; 2-methyl-1-(2,4,6-trihydroxyphenyl)propan-1-one; 2-Methyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; phlorisobutanophenone; phloroisobutyrophenone; AC1NS0BJ; 2-isobutyrylphloroglucinol; 2-isobutanoylphloroglucinol; SCHEMBL2150396; CTK1B6928; DTXSID60416108; MolPort-022-379-188; BNEBXEZRBLYBCZ-UHFFFAOYSA-N; CHEBI:133419; ZINC13650343; BDBM50005639; 1-isobutyryl-2,4,6-trihydroxybenzene
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C10H12O4
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| Canonical SMILES |
CC(C)C(=O)C1=C(C=C(C=C1O)O)O
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| InChI |
1S/C10H12O4/c1-5(2)10(14)9-7(12)3-6(11)4-8(9)13/h3-5,11-13H,1-2H3
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| InChIKey |
BNEBXEZRBLYBCZ-UHFFFAOYSA-N
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| CAS Number |
CAS 35458-21-0
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:133419
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Prostaglandin G/H synthase 1 (COX-1) | Target Info | Inhibitor | [1] |
| BioCyc | C20 prostanoid biosynthesis | |||
| KEGG Pathway | Arachidonic acid metabolism | |||
| Metabolic pathways | ||||
| Platelet activation | ||||
| Serotonergic synapse | ||||
| NetPath Pathway | TGF_beta_Receptor Signaling Pathway | |||
| Panther Pathway | Inflammation mediated by chemokine and cytokine signaling pathway | |||
| Pathwhiz Pathway | Arachidonic Acid Metabolism | |||
| WikiPathways | Prostaglandin Synthesis and Regulation | |||
| Arachidonic acid metabolism | ||||
| Phase 1 - Functionalization of compounds | ||||
| Eicosanoid Synthesis | ||||
| Selenium Micronutrient Network | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Anti-inflammatory acylphloroglucinol derivatives from Hops (Humulus lupulus). J Nat Prod. 2005 Oct;68(10):1545-8. | |||
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