Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2253)
Drug Name
Pyrogallol
Synonyms
Benzenetriol; Benzene, 1,2,3-trihydroxy-; Fouramine Brown AP; Pyrogallol, ACS reagent; benzene-1,2,3-triol; fouramine base ap; fourrine 85; fourrine PG; pyrogallic acid; pyrogallol; 01Y4A2QXY0; 1,2,3-TRIHYDROXY-BENZENE; 1,2,3-Trihydroxybenzen; 1,2,3-Trihydroxybenzen [Czech]; 1,2,3-benzenetriol; 1,2,3-trihydroxybenzene; 2,3-Dihydroxyphenol; 87-66-1; AI3-00709; BRN 0907431; C.I. 76515; C.I. Oxidation Base 32; CCRIS 1940; CHEMBL307145; CI 76515; CI Oxidation Base 32; EINECS 201-762-9; HSDB 794; NSC 5035; Piral; Pyro; UNII-01Y4A2QXY0
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 126.11 Topological Polar Surface Area 60.7
Heavy Atom Count 9 Rotatable Bond Count 0
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
1057
ChEBI ID
CHEBI:16164
CAS Number
87-66-1
TTD Drug ID
D06TPF
Formula
C6H6O3
Canonical SMILES
C1=CC(=C(C(=C1)O)O)O
InChI
1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
InChIKey
WQGWDDDVZFFDIG-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Quinone DM006833 N. A. Unclear 1 [3]
Tetrahydroxydipheno-o-quinone DM006999
86012678
Unclear 2 [3]
Pyrogallol M1 DM007000 N. A. Unclear 3 [3]
Purpurogallin DM007001
5281571
Unclear 4 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007626 Pyrogallol Quinone Unclear Unclear [3]
MR007627 Quinone Tetrahydroxydipheno-o-quinone Unclear Unclear [3]
MR007628 Tetrahydroxydipheno-o-quinone Pyrogallol M1 Unclear Unclear [3]
MR007629 Pyrogallol M1 Purpurogallin Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Glucansucrase (gtf106B) DME1495 Lactobacillus reuteri
Q5SBN3_LACRE
2.4.1.5
[2]
References
1 PubChem 2019 update: improved access to chemical data. Nucleic Acids Res. 2019 Jan 8; 47(D1):D1102-1109. (PubChem CID: 1057)
2 Impact of low-level laser therapy on hyposalivation, salivary pH, and quality of life in head and neck cancer patients post-radiotherapy. Lasers Med Sci. 2017 May;32(4):827-832.
3 Metabolism of pyrogallol to purpurogallin by human erythrocytic hemoglobin

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