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Nevadensin - 99%, high purity , CAS No.10176-66-6

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Nevadensin - 99%, high purity , CAS No.10176-66-6

COA

Grade & Purity:

≥99%

Cas Number: 10176-66-6
Molecular Weight: 344.32
PubChem CID: 160921

In stock

Item Number

N647433

Grouped product items
SKU	Size	Availability	Price
N647433-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$50.90
N647433-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$80.90
N647433-20mg	20mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$140.90

Flavonoids Flavones Phenols Polyphenols

View related series

Anti-infection (2803) Bacterial (3013) Flavonoids Flavones Phenols Polyphenols (26) Lipid metabolism (1912)

Basic Description

Synonyms	4H-1-Benzopyran-4-one, 5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)- \| HY-N1377 \| Lysionatin \| DTXSID40144174 \| PS-3199 \| 5,7-Dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one \| 5,7-hydroxy-4',6,8-trimethoxyflavone \| CCG-267965 \| 5,7-di
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	Nevadensin is a naturally occurring selective inhibitor of human carboxylesterase 1 (hCE1) with an IC 50 of 2.64 μM. Nevadensin has a variety of pharmacological effects such as anti-mycobacterium tuberculosis activities, antitussive, anti-inflammatory and
Storage Temp	Store at 2-8°C,Protected from light
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Nevadensin is a naturally occurring selective inhibitor of human carboxylesterase 1 (hCE1) with an IC 50 of 2.64 μM. Nevadensin has a variety of pharmacological effects such as anti-mycobacterium tuberculosis activities, antitussive, anti-inflammatory and anti-hypertensive Form:Solid IC50& Target:IC50: 2.64 μM (hCE1), 132.8 μM (hCE2)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Flavonoids
    - Subclass O-methylated flavonoids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Flavonoids
Subclass	O-methylated flavonoids
Intermediate Tree Nodes	Not available
Direct Parent	8-O-methylated flavonoids
Alternative Parents	4'-O-methylated flavonoids 6-O-methylated flavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Flavones Chromones Phenoxy compounds Methoxybenzenes Anisoles Pyranones and derivatives Alkyl aryl ethers Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	4p-methoxyflavonoid-skeleton - 6-methoxyflavonoid-skeleton - 8-methoxyflavonoid-skeleton - 5-hydroxyflavonoid - Flavone - Hydroxyflavonoid - 7-hydroxyflavonoid - Chromone - Benzopyran - 1-benzopyran - Phenol ether - Anisole - Methoxybenzene - Phenoxy compound - Pyranone - Alkyl aryl ether - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous acid - Ether - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 8-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone.
External Descriptors	Flavones and Flavonols
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(Human)

AKR1B1 Tclin Aldose reductase (1404 Activities)

Discover Target: AKR1B1

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

NQO1 Tchem Quinone reductase 1 (1746 Activities)

Discover Target: NQO1

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

Panel NCI-60 (60 carcinoma cell lines) (1088 Activities)

Explore this target

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

Associated Targets(non-human)

Artemia (698 Activities)

Explore this target

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	5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
INCHI	InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)12-8-11(19)13-14(20)17(23-2)15(21)18(24-3)16(13)25-12/h4-8,20-21H,1-3H3
InChIKey	KRFBMPVGAYGGJE-UHFFFAOYSA-N
Smiles	COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O
Isomeric SMILES	COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O
Molecular Weight	344.32
Reaxy-Rn	1355696
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1355696&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 14.71 mg/mL (42.72 mM; Need ultrasonic)
Molecular Weight	344.300 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	344.09 Da
Monoisotopic Mass	344.09 Da
Topological Polar Surface Area	94.500 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	512.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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