Dehydrojuncuenin B

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Description

Dehydrojuncuenin B is a phenanthrenoid compound, which can be isolated from the underground parts of Juncus setchuenensis[1].

CAS Number

1161681-28-2

UNSPSC

12352005

Target

Others

Type

Natural Products

Related Pathways

Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/dehydrojuncuenin-b.html

Solubility

10 mM in DMSO

Smiles

OC1=C(C)C2=CC=C3C(C=C)=C(C)C(O)=CC3=C2C=C1

Molecular Formula

C18H16O2

Molecular Weight

264.32

References & Citations

[1]Sun L, Zhang C, Xue C, Liu C, Wang Y, Chen L, Deng Y, Huang J, Zhai H. Anxiolytic effect of a novel 9,10-dihydrophenanthrene, juncuenin H, is associated with metabolic changes in cortical serotonin/dopamine levels in mice. Fitoterapia. 2019 Apr;134:165-171.

Shipping Conditions

Room temperature

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

Dehydrojuncuenin B

8-ethenyl-1,7-dimethylphenanthrene-2,6-diol has been reported in Juncus setchuensis with data available.

CAS Number	1161681-28-2
PubChem CID	44178858
IUPAC Name	8-ethenyl-1,7-dimethylphenanthrene-2,6-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=C(C(=C(C=C23)O)C)C=C)O

InChI

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

InChIKey

FEOBWEMWBQNAEA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1161681-28-2

CID: 44178858

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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Dehydrojuncuenin B

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