Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0EW3L
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| Former ID |
DNC007119
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| Drug Name |
BUTEIN
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| Synonyms |
butein; 487-52-5; 2',3,4,4'-Tetrahydroxychalcone; 3,4,2',4'-Tetrahydroxychalcone; 2',4',3,4-Tetrahydroxychalcone; UNII-4WVS5M0LGF; EINECS 207-659-5; 4WVS5M0LGF; (E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one; CHEMBL128000; CHEBI:3237; (2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one; 1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one; ,3,4-Tetrahydroxychalcone; Chalcone, 2',3,4,4'-tetrahydroxy- (7CI,8CI); Acrylophenone, 2',4'-dihydroxy-3-(3,4-dihy
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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 |
C15H12O5
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| Canonical SMILES |
C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O)O
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| InChI |
1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
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| InChIKey |
AYMYWHCQALZEGT-ORCRQEGFSA-N
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| CAS Number |
CAS 487-52-5
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:3237
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Angiotensin-converting enzyme (ACE) | Target Info | Inhibitor | [1] |
| Plasmodium Enoyl-ACP reductase (Malaria fabI) | Target Info | Inhibitor | [2] | |
| KEGG Pathway | Renin-angiotensin system | |||
| Chagas disease (American trypanosomiasis) | ||||
| Hypertrophic cardiomyopathy (HCM) | ||||
| Pathwhiz Pathway | Angiotensin Metabolism | |||
| Reactome | Metabolism of Angiotensinogen to Angiotensins | |||
| WikiPathways | ACE Inhibitor Pathway | |||
| Metabolism of Angiotensinogen to Angiotensins | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | The synthesis and angiotensin converting enzyme (ACE) inhibitory activity of chalcones and their pyrazole derivatives. Bioorg Med Chem Lett. 2010 Mar 15;20(6):1990-3. | |||
| REF 2 | Green tea catechins potentiate triclosan binding to enoyl-ACP reductase from Plasmodium falciparum (PfENR). J Med Chem. 2007 Feb 22;50(4):765-75. | |||
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