MBD

3-METHYLCATECHOL

Created:	2001-12-19
Last modified:	2024-09-27

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3 entries where MBD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	6

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Chemical Component Summary
Name	3-METHYLCATECHOL
Synonyms	3-METHYL-BENZENE-1,2-DIOL
Systematic Name (OpenEye OEToolkits)	3-methylbenzene-1,2-diol
Formula	C₇ H₈ O₂
Molecular Weight	124.137
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Oc1c(cccc1O)C
SMILES	CACTVS	3.341	Cc1cccc(O)c1O
SMILES	OpenEye OEToolkits	1.5.0	Cc1cccc(c1O)O
Canonical SMILES	CACTVS	3.341	Cc1cccc(O)c1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1cccc(c1O)O
InChI	InChI	1.03	InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3
InChIKey	InChI	1.03	PGSWEKYNAOWQDF-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03454
Name	3-methyl-benzene-1,2-diol
Groups	experimental
Description	3-methyl-benzene-1,2-diol is a solid. This compound belongs to the catechols. These are compounds containing a 1,2-benzenediol moeity. 3-methyl-benzene-1,2-diol targets the protein biphenyl-2,3-diol 1,2-dioxygenase.
Synonyms	3-methyl-benzene-1,2-diol
CAS number	488-17-5

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Biphenyl-2,3-diol 1,2-dioxygenase	MSIRSLGYMGFAVSDVAAWRSFLTQKLGLMEAGTTDNGDLFRIDSRAWRI...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682