NAV

Phenylethyl resorcinol

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Phenylethyl resorcinol
DrugBank Accession Number
DB14120
Background

A tyrosinase inhibitor with skin-lightening activity.

Type
Small Molecule
Groups
Approved, Experimental
Structure
3D
Similar Structures
Weight
Average: 214.264
Monoisotopic: 214.099379691
Chemical Formula
C14H14O2
Synonyms
  • (+/-)-Phenylethyl resorcinol
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Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
I-max Lightening 5Phenylethyl resorcinol (0.5 g/100g) + Hydroquinone (2 g/100g) + alpha-Arbutin (2 g/100g)CreamTopicalMaxlife Usa, Inc.2012-09-182013-02-01US flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
G37UFG162O
CAS number
85-27-8
InChI Key
PQSXNIMHIHYFEE-UHFFFAOYSA-N
InChI
InChI=1S/C14H14O2/c1-10(11-5-3-2-4-6-11)13-8-7-12(15)9-14(13)16/h2-10,15-16H,1H3
IUPAC Name
4-(1-phenylethyl)benzene-1,3-diol
SMILES
CC(C1=CC=CC=C1)C1=CC=C(O)C=C1O

References

General References
Not Available
ChemSpider
9346995
BindingDB
240731
RxNav
1313724
ChEMBL
CHEMBL3961037

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
CreamTopical
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.159 mg/mLALOGPS
logP3.02ALOGPS
logP3.74Chemaxon
logS-3.1ALOGPS
pKa (Strongest Acidic)9.46Chemaxon
pKa (Strongest Basic)-5.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area40.46 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity64.31 m3·mol-1Chemaxon
Polarizability23.25 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0920000000-f2eddf4243bd54baa4b6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0090000000-898ef75573db99a78a6f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03xr-1930000000-c03daac15d20ca3eead5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-4900000000-6c0ddf13900e14f7781f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-9400000000-8d83e70c8e4c5e07fc60
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0i90-4900000000-b4162cd0c573fd7d16df
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-149.34924
predicted
DeepCCS 1.0 (2019)
[M+H]+151.7448
predicted
DeepCCS 1.0 (2019)
[M+Na]+157.66747
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2018 21:53 / Updated at May 03, 2022 18:08