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7-O-Geranylscopoletin

CAT: 0931-T10195-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T10195-01Size:5 mg
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CAS Number
28587-43-1
Target
Others
Related Pathways
Others
Bioactivity
7-O-Geranylscopoletin is a natural coumarin from the root of Atalantia monophylla. Various parts of this plant have been used for folk medicine for several purposes such as the treatment of chronic rheumatism, antispasmodic, paralysis, hemiplegia, and stimulant.
Smiles
COc1cc2ccc(=O)oc2cc1OC\C=C(/C)CCC=C(C)C
Molecular Formula
C20H24O4
Molecular Weight
328.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
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