| Common Name |
Mequinol
| Description |
Mequinol is found in anise. Mequinol is a drug used in combination with the drug tretinoin in the treatment of liver spots. Mequinol used alone and in higher doses is used as a topical drug for medical depigmentation. (Wikipedia) Mequinol belongs to the family of Methoxyphenols and Derivatives. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29696 (Mequinol)
| Synonyms |
| Value |
Source |
4-HydroxyanisoleChEMBL
HQMME; hydroxyquinone methyl etherChEMBL
Menthyl anthranilateChEMBL
novo-DermoquinonaChEMBL
Leucodine bChEMBL
BMS-181158P-GuaiacolChEMBL
P-HydroxyanisoleChEMBL
4-MethoxyphenolChEMBL
4HAChEMBL
LeucobasalChEMBL
MechinolumChEMBL
Menthyl anthranilic acidGenerator
1-Hydroxy-4-methoxybenzeneHMDB
4-Methoxy-phenolHMDB
HydroxyanisoleHMDB
Hydroxyquinone methyl etherHMDB
Mequinol, inn, usanHMDB
mono Methyl ether hydroquinoneHMDB
Monomethyl ether hydroquinoneHMDB
P-HydroxymethoxybenzeneHMDB
P-MethoxyphenolHMDB
Para-methoxyphenolHMDB
| Chemical Formlia |
C7H8O2
| Average Molecliar Weight |
124.1372
| Monoisotopic Molecliar Weight |
124.0524295
| IUPAC Name |
4-methoxyphenol
| Traditional Name |
methoxyphenol
| CAS Registry Number |
150-76-5
| SMILES |
COC1=CC=C(O)C=C1
| InChI Identifier |
InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
| InChI Key |
NWVVVBRKAWDGAB-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
| Kingdom |
Organic compounds
| Super Class |
Benzenoids
| Class |
Benzene and substituted derivatives
| Sub Class |
Phenols and derivatives
| Direct Parent |
Methoxyphenols
| Alternative Parents |
Methoxybenzenes
Anisoles
Alkyl aryl ethers
Hydrocarbon derivatives
| Substituents |
Methoxyphenol
Methoxybenzene
Phenol ether
Anisole
Alkyl aryl ether
Ether
Hydrocarbon derivative
Organooxygen compound
Aromatic homomonocyclic compound
| Molecliar Framework |
Aromatic homomonocyclic compounds
| External Descriptors |
organic molecliar entity (CHEBI:69441 )
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Nutrient
| Cellliar locations |
Cytoplasm
Extracellliar
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting Point53 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility40 mg/mL at 25 °CNot Available
LogP1.58Not Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility36.1 mg/mLALOGPS
logP1.31ALOGPS
logP1.51ChemAxon
logS-0.54ALOGPS
pKa (Strongest Acidic)9.94ChemAxon
pKa (Strongest Basic)-4.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area29.46 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity34.5 m3·mol-1ChemAxon
Polarizability12.76 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, Positivesplash10-004i-0900000000-3d4bc54dec9d0d2bf71dView in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, Positivesplash10-004i-1900000000-cd190cc17b12c804fb8dView in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, Positivesplash10-0691-9200000000-f98954ef6d73d4d0fc19View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, Negativesplash10-00di-0900000000-3cb1894d95675088e7b2View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, Negativesplash10-00di-0900000000-125ba3d5d60e387415e5View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, Negativesplash10-0a4i-9600000000-c374964c5ebd2e35933eView in MoNA
| Biological Properties |
| Cellliar Locations |
Cytoplasm
Extracellliar
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB000886
| KNApSAcK ID |
C00035022
| Chemspider ID |
8665
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Mequinol
| NuGOwiki Link |
HMDB29696
| Metagene Link |
HMDB29696
| METLIN ID |
Not Available
| PubChem Compound |
9015
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Vorapaxar
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 20516643