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

CAS: 514-78-3 Cat. No.: A299058 Fórmula: C₄₀H₅₂O₂ Peso molecular: 564.84 Número EC: 208-187-2

CALIDAD & PUREZA 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

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Especificaciones

Sinónimos

.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

Especificaciones y pureza

Moligand™, ≥95%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥95%(HPLC)

Nombres e identificadores

Pubchem Sid

528771957

Pubchem Sid Url

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

Sonrisas canónicas

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+

Isómeros 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

Peso molecular

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
    • Clase Prenol lipids
      • Subclass Tetraterpenoids
        • Level5 Carotenoids
          • Level6 Xanthophylls

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Cruzipain (33337 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 201.6-201.7 °C
• Peso molecular: 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