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

CAS: 514-78-3 Cat. No.: A299058 분자식: C₄₀H₅₂O₂ 분자량: 564.84 EC 번호: 208-187-2

GRADE & PURITY Moligand™, ≥95%(HPLC)

Synonyms

.BETA.-CAROTENE-4,4'-DIONE | CANTHAXANTHIN [FCC] | DTXCID002727 | 4,4'-DIKETO-.BETA.-CAROTENE | Canthaxanthin, tech. | NSC 374110 | UNII-4C3C6403MU | NCGC00095896-01 | Ro 1-9915 | Carotene-4,4'-dione, beta- | 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

동의어

.BETA.-CAROTENE-4,4'-DIONE | CANTHAXANTHIN [FCC] | DTXCID002727 | 4,4'-DIKETO-.BETA.-CAROTENE | Canthaxanthin, tech. | NSC 374110 | UNII-4C3C6403MU | NCGC00095896-01 | Ro 1-9915 | Carotene-4,4'-dione, beta- | 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E

사양 및 순도

Moligand™, ≥95%(HPLC)

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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등급

Moligand™

순수함

≥95%(HPLC)

이름과 식별자

• Pubchem Sid: 528771957
• 정식 스마일: 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+
• 이성체 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
• 분자량: 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
    • 분류 Prenol lipids
      • Subclass Tetraterpenoids
        • Level5 Carotenoids
          • Level6 Xanthophylls

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

관련 대상(인간)

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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): 201.6-201.7 °C
• 분자량: 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

참고 문헌

1. Zi-Xu Zhang, Lu-Wei Xu, Ying-Shuang Xu, Jin Li, Wang Ma, Xiao-Man Sun, He Huang.  (2023)  Integration of genetic engineering and multi-factor fermentation optimization for co-production of carotenoid and DHA in Schizochytrium sp.  BIORESOURCE TECHNOLOGY,      [PMID:38154734] [10.1016/j.biortech.2023.130250]

2. Hang-Zhi Zhu, Shan Jiang, Jun-Jie Wu, Xue-Rong Zhou, Peng-Yang Liu, Feng-Hong Huang, Xia Wan.  (2022)  Production of High Levels of 3S,3′S-Astaxanthin in Yarrowia lipolytica via Iterative Metabolic Engineering.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:35191700] [10.1021/acs.jafc.1c08072]

3. Jiying Zhu, Wei Jia, Jian Peng.  (2024)  Dissecting the binding effect of Crocetin glucosyltransferase 2 in crocetin biotransformation in saffron (Crocus sativus L.) from different origins.  FOOD CHEMISTRY,      [PMID:38838622] [10.1016/j.foodchem.2024.139917]

4. Jiayan Du, Youtong Bao, Jingyuan Zhu, Xueqing Pang, Depeng Ren, Xinjian Yin, Pingping Zhou.  (2025)  Engineering of β-carotene hydroxylase for enhanced astaxanthin production in Saccharomyces cerevisiae.  BIOCHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.bej.2025.109722]

5. Weiwei Cheng, Jiahe Xu, Xiaowen Wang, Xinyang Li, Yufeng Chen, Guoqin Liu, Xuxia Zhou, Yuting Ding, Shulai Liu.  (2024)  Multiple Mechanisms of Haematococcus pluvialis–Derived Carotenoids to Inhibit Glycidyl Ester Formation in Rice Oil and a Chemical Model at High Temperatures.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:39140411] [10.1021/acs.jafc.4c04019]