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7-O-Geranylscopoletin

CAT: 0804-HY-N2746Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N2746Size:1 mg
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Description
7-O-Geranylscopoletin is a coumarin from the root of Atalantia monophylla. Various parts of this plant have been used for folk medicine for several purposes such as chronic rheumatism, paralysis, antispasmodic, stimulant and hemiplegia[1].
CAS Number
28587-43-1
Product Name Alternative
7-Geranyloxy-6-methoxycoumarin
UNSPSC
12352005
Hazard Statement
H315-H319
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/7-o-geranylscopoletin.html
Purity
97.0
Solubility
10 mM in DMSO
Smiles
O=C1C=CC2=CC(OC)=C(OC/C=C(C)/CC/C=C(C)/C)C=C2O1
Molecular Formula
C20H24O4
Molecular Weight
328.40
Precautions
P264-P280-P302+P352-P305+P351+P338-P362+P364
References & Citations
[1]Chukaew A, et al. Potential anti-allergic acridone alkaloids from the roots of Atalantia monophylla. Phytochemistry. 2008 Oct;69 (14) :2616-20.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

7-((2E)-3,7-Dimethylocta-2,6-Dienoxy)-6-Methoxychromen-2-One

7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-methoxychromen-2-one has been reported in Zanthoxylum schinifolium, Atalantia monophylla, and other organisms with data available.

CAS Number28587-43-1
PubChem CID5319406
IUPAC Name7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxychromen-2-one
Molecular FormulaC20H24O4
Molecular Weight328.4
XLogP5.2
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity514
SMILES
CC(=CCC/C(=C/COC1=C(C=C2C=CC(=O)OC2=C1)OC)/C)C
InChI
InChI=1S/C20H24O4/c1-14(2)6-5-7-15(3)10-11-23-19-13-17-16(12-18(19)22-4)8-9-20(21)24-17/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+
InChIKey
NLNMITFNBJXRRP-XNTDXEJSSA-N
Chemical Structure
2D Structure
2D structure of 7-((2E)-3,7-Dimethylocta-2,6-Dienoxy)-6-Methoxychromen-2-One
CAS: 28587-43-1
CID: 5319406
Formula: C20H24O4
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass328.16745924
Monoisotopic Mass328.16745924
Topological Polar Surface Area44.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity514
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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