NAV

Norbixin

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

Identification

Generic Name
Norbixin
DrugBank Accession Number
DB15201
Background

Norbixin is under investigation in clinical trial NCT03820245 (Effect of Short-term Annatto Carotenoids Supplementation on Oxidative Stress Status in Healthy Individuals).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 380.484
Monoisotopic: 380.198759382
Chemical Formula
C24H28O4
Synonyms
Not Available
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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

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
E8M59E17AI
CAS number
542-40-5
InChI Key
ZVKOASAVGLETCT-UOGKPENDSA-N
InChI
InChI=1S/C24H28O4/c1-19(11-7-13-21(3)15-17-23(25)26)9-5-6-10-20(2)12-8-14-22(4)16-18-24(27)28/h5-18H,1-4H3,(H,25,26)(H,27,28)/b6-5+,11-7+,12-8+,17-15+,18-16+,19-9+,20-10+,21-13+,22-14+
IUPAC Name
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioic acid
SMILES
C\C(\C=C\C=C(/C)\C=C\C(O)=O)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(O)=O

References

General References
Not Available
KEGG Compound
C08608
ChemSpider
4444661
ChEBI
7623
ChEMBL
CHEMBL1602127
Wikipedia
Bixin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00209 mg/mLALOGPS
logP5.52ALOGPS
logP5.15Chemaxon
logS-5.3ALOGPS
pKa (Strongest Acidic)4.47Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area74.6 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity124.28 m3·mol-1Chemaxon
Polarizability45.92 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
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/MSsplash10-0bt9-0169000000-609efdb2740750b6ce47
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0095000000-7d057dafc8334814264f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-02ij-0097000000-658078d30ffc331da20e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-052u-7095000000-67bc15dae7a9e990d306
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01p9-0091000000-d63717b4ee902a22cad5
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0092000000-056730f97f0ae057c26a
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]-259.2532769
predicted
DarkChem Lite v0.1.0
[M-H]-259.4676769
predicted
DarkChem Lite v0.1.0

Drug created at May 20, 2019 14:59 / Updated at June 12, 2020 16:53