Dehydrojuncusol

CAT: 0804-HY-N8188-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-N8188-02Size:25 mg

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Description

Dehydrojuncusol, a potent HCV inhibitor, targets HCV NS5A and is able to inhibit RNA replication of replicons harboring resistance mutations to anti-NS5A direct-acting antivirals. Dehydrojuncusol significantly inhibits HCV infection when added after virus inoculation of HCV genotype 2a (EC50=1.35 μM) [1].

CAS Number

117824-04-1

UNSPSC

12352005

Target

HCV; HCV Protease

Type

Natural Products

Related Pathways

Anti-infection; Metabolic Enzyme/Protease

Applications

COVID-19-anti-virus

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/dehydrojuncusol.html

Solubility

10 mM in DMSO

Smiles

OC1=CC=C2C3=C(C=C)C(C)=C(O)C=C3C=CC2=C1C

Molecular Formula

C18H16O2

Molecular Weight

264.32

References & Citations

[1]Sahuc ME, et al. Dehydrojuncusol, a Natural Phenanthrene Compound Extracted from Juncus maritimus, Is a New Inhibitor of Hepatitis C Virus RNA Replication. J Virol. 2019;93 (10) :e02009-18. Published 2019 May 1.

Shipping Conditions

Room temperature

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

Dehydrojuncusol

5-ethenyl-1,6-dimethylphenanthrene-2,7-diol has been reported in Juncus effusus, Juncus acutus, and Juncus roemerianus with data available.

CAS Number	117824-04-1
PubChem CID	5316773
IUPAC Name	5-ethenyl-1,6-dimethylphenanthrene-2,7-diol
Molecular Formula	C18H16O2
Molecular Weight	264.3
XLogP	5.2
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	20
Formal Charge	0
Complexity	366

SMILES

CC1=C(C=CC2=C1C=CC3=CC(=C(C(=C32)C=C)C)O)O

InChI

InChI=1S/C18H16O2/c1-4-13-10(2)17(20)9-12-5-6-14-11(3)16(19)8-7-15(14)18(12)13/h4-9,19-20H,1H2,2-3H3

InChIKey

IZVFYHBVHNNKGE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 117824-04-1

CID: 5316773

Formula: C18H16O2

MW: 264.3

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	264.3
XLogP3	5.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	264.115029749
Monoisotopic Mass	264.115029749
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	366
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
MBS5762207	Dehydrojuncusol

Dehydrojuncusol

Chemical Information

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