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7-Geranyloxy-5-methoxycoumarin

CAT: 0931-TN3225Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3225Size:5 mg
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CAS Number
1432075-68-7
Target
Others
Related Pathways
Others
Bioactivity
7-Geranyloxy-5-methoxycoumarin, a naturally occurring compound found in various plants including the bark of the red maple tree, exhibits anti-inflammatory, antioxidant, and anti-tumor properties.
Smiles
COc1cc(OCC=C(C)CC\C=C(\C)C)cc2oc(=O)ccc12
Molecular Formula
C20H24O4
Molecular Weight
328.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-Geranyloxy-5-methoxycoumarin

from Toddalia asiatica; structure in first source

CAS Number1432075-68-7
PubChem CID71307365
IUPAC Name7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-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=CC2=C(C=CC(=O)O2)C(=C1)OC)/C)C
InChI
InChI=1S/C20H24O4/c1-14(2)6-5-7-15(3)10-11-23-16-12-18(22-4)17-8-9-20(21)24-19(17)13-16/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+
InChIKey
ORBVONLAJRGOAY-XNTDXEJSSA-N
Chemical Structure
2D Structure
2D structure of 7-Geranyloxy-5-methoxycoumarin
CAS: 1432075-68-7
CID: 71307365
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