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Candidone - ≥95% (LC/MS-ELSD), high purity , CAS No.77727-18-5

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Candidone - ≥95% (LC/MS-ELSD), high purity , CAS No.77727-18-5

COA

Grade & Purity:

≥95%(LC/MS-ELSD)

Cas Number: 77727-18-5
Molecular Weight: 352.42
MDL number: MFCD24849324
PubChem CID: 157102

In stock

Item Number

C463882

Grouped product items
SKU	Size	Availability	Price	Qty
C463882-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$646.90

Basic Description

Synonyms	candidone \| DTXSID40998932 \| AKOS040734364 \| CHEBI:187753 \| 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dimethoxy-8-(3-methyl-2-butenyl)-2-phenyl-, (2S)- \| (2S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one \| Candidone, >=95% (LC/MS-EL
Specifications & Purity	≥95%(LC/MS-ELSD)
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Description Natural product derived from plant source.}

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Flavonoids
    - Subclass Flavans
      - Level5 8-prenylated flavans
        Level6 8-prenylated flavanones

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Flavonoids
Subclass	Flavans
Intermediate Tree Nodes	8-prenylated flavans
Direct Parent	8-prenylated flavanones
Alternative Parents	7-O-methylated flavonoids 5-O-methylated flavonoids Flavanones Chromones Aryl alkyl ketones Anisoles Alkyl aryl ethers Benzene and substituted derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	8-prenylated flavanone - 5-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - Flavanone - Chromone - Chromane - Benzopyran - 1-benzopyran - Anisole - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ketone - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 8-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 8-position.
External Descriptors	Not available
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

Associated Targets(non-human)

Cryz Quinone oxidoreductase (288 Activities)

Discover Target: Cryz

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(2S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
INCHI	InChI=1S/C22H24O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-10,13,18H,11-12H2,1-4H3/t18-/m0/s1
InChIKey	JYESOAFLKFHYHP-SFHVURJKSA-N
Smiles	CC(=CCC1=C2C(=C(C=C1OC)OC)C(=O)CC(O2)C3=CC=CC=C3)C
Isomeric SMILES	CC(=CCC1=C2C(=C(C=C1OC)OC)C(=O)C[C@H](O2)C3=CC=CC=C3)C
UN Number	3077
Molecular Weight	352.42
Reaxy-Rn	4545355
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4545355&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	Not applicable
Flash Point(°C)	Not applicable
Molecular Weight	352.400 g/mol
XLogP3	4.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	352.167 Da
Monoisotopic Mass	352.167 Da
Topological Polar Surface Area	44.800 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	504.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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