NAV

Bakuchiol

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

Identification

Generic Name
Bakuchiol
DrugBank Accession Number
DB16102
Background

Bakuchiol is under investigation in clinical trial NCT03112863 (Comparison of the Cosmetic Effects of Bakuchiol and Retinol).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 256.389
Monoisotopic: 256.182715393
Chemical Formula
C18H24O
Synonyms
  • (+)-bakuchiol
  • (s)-bakuchiol
  • Drupanol
  • Sytenol a
External IDs
  • UP 256
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
Retinol Glow SerumBakuchiol (1.2 mg/30mL) + Hyaluronic acid (3.6 mg/30mL) + Squalane (0.6 mg/30mL) + Tocopherol (5.01 mg/30mL) + Vitamin A (0.09 mg/30mL)LiquidCutaneousShantou Youjia E-Commerce Co., Ltd.2024-02-012024-12-31US flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
OT12HJU3AR
CAS number
10309-37-2
InChI Key
LFYJSSARVMHQJB-QIXNEVBVSA-N
InChI
InChI=1S/C18H24O/c1-5-18(4,13-6-7-15(2)3)14-12-16-8-10-17(19)11-9-16/h5,7-12,14,19H,1,6,13H2,2-4H3/b14-12+/t18-/m1/s1
IUPAC Name
4-[(1E,3S)-3-ethenyl-3,7-dimethylocta-1,6-dien-1-yl]phenol
SMILES
CC(C)=CCC[C@@](C)(C=C)\C=C\C1=CC=C(O)C=C1

References

General References
Not Available
ChemSpider
4579217
BindingDB
50478311
RxNav
1368134
ChEMBL
CHEMBL262344
ZINC
ZINC000001644304
Wikipedia
Bakuchiol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
0CompletedTreatmentSolar Elastosis / Wrinkles1

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00462 mg/mLALOGPS
logP6.06ALOGPS
logP5.62Chemaxon
logS-4.7ALOGPS
pKa (Strongest Acidic)9.53Chemaxon
pKa (Strongest Basic)-5.9Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area20.23 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity85.47 m3·mol-1Chemaxon
Polarizability31.52 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
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/MSsplash10-00vi-1900000000-a7c6e287ecaa0d59a4d4
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4r-0960000000-535fa0ed9b9b3cecf46e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0pxr-1980000000-e0ec6e4a321838912775
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fur-8900000000-d6f592e522aa478c0163
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-1900000000-dbfb7801655904c11b40
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-003u-9710000000-1b9cd11e86a1ed218619
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]-182.4438627
predicted
DarkChem Lite v0.1.0
[M+H]+184.0258627
predicted
DarkChem Lite v0.1.0
[M+Na]+182.7138627
predicted
DarkChem Lite v0.1.0

Drug created at December 15, 2020 18:05 / Updated at December 20, 2020 03:37