This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Astaxanthin
- DrugBank Accession Number
- DB06543
- Background
Astaxanthin is a keto-carotenoid in the terpenes class of chemical compounds. It is classified as a xanthophyll but it is a carotenoid with no vitamin A activity. It is found in the majority of aquatic organisms with red pigment. Astaxanthin has shown to mediate anti-oxidant and anti-inflammatory actions. It may be found in fish feed or some animal food as a color additive.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Astaxanthin (DB06543)
- Weight
- Average: 596.852
Monoisotopic: 596.386560154 - Chemical Formula
- C40H52O4
- Synonyms
- Not Available
Pharmacology
- Indication
Investigated for use/treatment in eye disorders/infections, cancer/tumors (unspecified), and asthma.
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Not Available
- Mechanism of action
Target Actions Organism UNF-kappa-B inhibitor alpha Not Available Humans - 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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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.
Drug Interaction Integrate drug-drug
interactions in your softwareAbciximab The risk or severity of bleeding can be increased when Abciximab is combined with Astaxanthin. Aceclofenac The risk or severity of bleeding and hemorrhage can be increased when Aceclofenac is combined with Astaxanthin. Acemetacin The risk or severity of bleeding and hemorrhage can be increased when Astaxanthin is combined with Acemetacin. Acenocoumarol The risk or severity of bleeding can be increased when Acenocoumarol is combined with Astaxanthin. Acetylsalicylic acid Acetylsalicylic acid may increase the anticoagulant activities of Astaxanthin. Albutrepenonacog alfa The therapeutic efficacy of Albutrepenonacog alfa can be decreased when used in combination with Astaxanthin. Alclofenac The risk or severity of bleeding and hemorrhage can be increased when Alclofenac is combined with Astaxanthin. Aldesleukin The risk or severity of bleeding can be increased when Astaxanthin is combined with Aldesleukin. Alemtuzumab The risk or severity of bleeding can be increased when Astaxanthin is combined with Alemtuzumab. Alteplase The risk or severity of bleeding can be increased when Alteplase is combined with Astaxanthin. 
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- No interactions found.
Products
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Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Prenol lipids
- Sub Class
- Tetraterpenoids
- Direct Parent
- Xanthophylls
- Alternative Parents
- Cyclohexenones / Secondary alcohols / Organic oxides / Hydrocarbon derivatives
- Substituents
- Alcohol / Aliphatic homomonocyclic compound / Carbonyl group / Cyclic ketone / Cyclohexenone / Hydrocarbon derivative / Ketone / Organic oxide / Organic oxygen compound / Organooxygen compound
- Molecular Framework
- Aliphatic homomonocyclic compounds
- External Descriptors
- carotenone, carotenol (CHEBI:40968) / C40 isoprenoids (tetraterpenes), Carotenoids (C08580) / C40 isoprenoids (tetraterpenes) (LMPR01070263)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 8XPW32PR7I
- CAS number
- 472-61-7
- InChI Key
- MQZIGYBFDRPAKN-UWFIBFSHSA-N
- InChI
- InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1
- IUPAC Name
- (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one
- SMILES
- C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0002204
- KEGG Compound
- C08580
- PubChem Compound
- 5281224
- PubChem Substance
- 347827776
- ChemSpider
- 4444636
- 18451
- ChEBI
- 40968
- ChEMBL
- CHEMBL1255871
- ZINC
- ZINC000100042059
- PDBe Ligand
- AXT
- Wikipedia
- Astaxanthin
- PDB Entries
- 1gka / 6zzx / 8c18 / 8i34
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment NPDR - Non Proliferative Diabetic Retinopathy / Type 2 Diabetes Mellitus 1 2 Recruiting Treatment Osteoarthritis of the Knee 1 2, 3 Terminated Treatment Joint Inflammation / Osteoarthritis Knees Both / Osteoarthritis of the Knee 1 2, 3 Unknown Status Treatment Painful Diabetic Neuropathy (PDN) 1 1 Completed Treatment Malondialdehyde / Stress Oxidative / Stroke 1 Not Available Unknown Status Basic Science Body Temperature Regulation 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Powder Not applicable 1 kg/1kg Capsule Oral 4 mg Tablet Oral Capsule, gelatin coated Oral Capsule Oral - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.000667 mg/mL ALOGPS logP 7.4 ALOGPS logP 8.05 Chemaxon logS -6 ALOGPS pKa (Strongest Acidic) 13.07 Chemaxon pKa (Strongest Basic) -3.5 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 74.6 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 195.98 m3·mol-1 Chemaxon Polarizability 73.77 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Ubiquitin protein ligase binding
- Specific Function
- Inhibits the activity of dimeric NF-kappa-B/REL complexes by trapping REL dimers in the cytoplasm through masking of their nuclear localization signals. On cellular stimulation by immune and proinf...
- Gene Name
- NFKBIA
- Uniprot ID
- P25963
- Uniprot Name
- NF-kappa-B inhibitor alpha
- Molecular Weight
- 35608.65 Da
References
- Lee SJ, Bai SK, Lee KS, Namkoong S, Na HJ, Ha KS, Han JA, Yim SV, Chang K, Kwon YG, Lee SK, Kim YM: Astaxanthin inhibits nitric oxide production and inflammatory gene expression by suppressing I(kappa)B kinase-dependent NF-kappaB activation. Mol Cells. 2003 Aug 31;16(1):97-105. [Article]
Drug created at March 19, 2008 16:36 / Updated at September 28, 2021 21:54