Canthaxanthin(E 161g) - Moligand™, ≥95%(HPLC) , CAS No.514-78-3

CAS: 514-78-3 Cat. No.: A299058 Summenformel: C₄₀H₅₂O₂ Molekulargewicht: 564.84 EG-Nummer: 208-187-2

QUALITÄT & REINHEIT Moligand™, ≥95%(HPLC)

Synonyms

.BETA.-CAROTENE-4,4'-DIONE|CANTHAXANTHIN [FCC]|4,4'-DIKETO-.BETA.-CAROTENE|Canthaxanthin, tech.|Ro 1-9915|Carotene-4,4'-dione, beta-|2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one|4,4'-Diketo-beta-carotene|Cantaxanthin|E 161 G|4,4'-Diketo-b-carotene|Cantaxanthine|Orobronze|CANTHAXANTHIN [MART.]|CI 40850 [INCI]|CI-FOOD ORANGE 8|L-Orange 7|3,3'-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl)bis(2,4,4-trimethylcyclohex-2-enone)|CANTHAXANTHIN [MI]|beta-CAROTENE-4,4'-DIONE, all-trans-|beta,beta-Carotene-4,4'-dione|CANTHAXANTHIN [WHO-DD]|4,4'-Dioxo-beta-carotene|All-trans-Canthaxanthin|CANTHAXANTHIN (euglenanone)|all-trans-beta-carotene-4,4'-dione|3,3'-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl)bis(2,4,4-trimethylcyclohex-2-en-1-one)|Canthaxanthine|Carophyll Red|LUCANTIN RED|Roxanthin Red 10|Canthaxanthin|E 161g;all-trans-Canthaxanthin|Isomer of Canthaxanthin|RO-19915|CANTHAXANTHIN (E 161G)|Canthaxanthin (trans)|E-161G|CanthaXanthin, Powder|CANTHA|INS NO.161G|all-trans,beta-Carotene-4,4'-dione|INS-161G

Storage

Lagerung bei -20°C, Argon geladen

Shipped In

Eistruhe + Eispads

Spezifikationen

Synonyme

.BETA.-CAROTENE-4,4'-DIONE | CANTHAXANTHIN [FCC] | 4,4'-DIKETO-.BETA.-CAROTENE | Canthaxanthin, tech. | Ro 1-9915 | Carotene-4,4'-dione, beta- | 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one | 4,4'-Diketo-beta-c Show more

Spezifikationen & Reinheit

Moligand™, ≥95%(HPLC)

Storage

Lagerung bei -20°C, Argon geladen

Verschickt in

Eistruhe + Eispads

Note

Moligand™

Reinheit

≥95%(HPLC)

Namen und Kennungen

Pubchem Sid

528771957

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528771957

Kanonisches Lächeln

CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C

IUPAC Name

2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one

InChIKey

FDSDTBUPSURDBL-DKLMTRRASA-N

INCHI

1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+

Isomere SMILES

CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C

Molekulargewicht

564.84

Reaxy-Rn

3124143

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3124143&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Prenol lipids
      • Subclass Tetraterpenoids
        • Ebene5 Carotenoids
          • Ebene6 Xanthophylls

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Prenol lipids
• Subclass: Tetraterpenoids
• Intermediate Tree Nodes: Carotenoids
• Direct Parent: Xanthophylls
• Alternative Parents: Cyclohexenones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Xanthophyll - Cyclohexenone - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Beschreibung: 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.
• External Descriptors: C40 isoprenoids (tetraterpenes)

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Zugehörige Ziele (menschlich)

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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Cruzipain (33337 Activities)

Explore this target

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 201.6-201.7 °C
• Molekulargewicht: 564.800 g/mol
• XLogP3: 11.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 564.397 Da
• Monoisotopic Mass: 564.397 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 1270.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 9
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 9
• Covalently-Bonded Unit Count: 1