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5,6,7-Trimethoxycoumarin

CAT: 0931-TN3080Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3080Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
55085-47-7
Target
Cytochromes P450, Antifection
Related Pathways
Metabolism, Microbiology/Virology
Bioactivity
5,6,7-Trimethoxycoumarin shows moderate inhibitory activity against Micrococcus luteus, it also displays an intermediate cytotoxic effects against brine shrimp larvae. 5,6,7-Trimethoxycoumarin can improve gastroprotective effects, and it has low toxicity and minimal effects on drug-metabolizing enzymes.
Smiles
COc1cc2oc(=O)ccc2c(OC)c1OC
Molecular Formula
C12H12O5
Molecular Weight
236.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5,6,7-Trimethoxycoumarin

5,6,7-trimethoxycoumarin is a member of the class of coumarins that is coumarin substituted by methoxy groups at positions 5, 6 and 7. It has a role as a metabolite and an antibacterial agent. It is a member of coumarins and an aromatic ether. It is functionally related to a coumarin.

CAS Number55085-47-7
PubChem CID148724
IUPAC Name5,6,7-trimethoxychromen-2-one
Molecular FormulaC12H12O5
Molecular Weight236.22
XLogP1.8
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity314
SMILES
COC1=C(C(=C2C=CC(=O)OC2=C1)OC)OC
InChI
InChI=1S/C12H12O5/c1-14-9-6-8-7(4-5-10(13)17-8)11(15-2)12(9)16-3/h4-6H,1-3H3
InChIKey
FOBNRKTURPWTQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,6,7-Trimethoxycoumarin
CAS: 55085-47-7
CID: 148724
Formula: C12H12O5
MW: 236.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.22
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass236.06847348
Monoisotopic Mass236.06847348
Topological Polar Surface Area54 Ų
Heavy Atom Count17
Formal Charge0
Complexity314
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FCA08547-015,6,7-Trimethoxycoumarin
MBS57879755-Hydroxy-6,7,8-trimethoxyCoumarin
FT65839-016,7,8-Trimethoxycoumarin
KCA79665-015,7,8-Trimethoxycoumarin
sc-3191015,5,6,6,7,7,7-Heptafluoroheptan-1-ol
B6838961-Bromoheptane-5,5,6,6,7,7,7-d7
H998461Heptanoic-5,5,6,6,7,7,7-d7 Acid
H281197n-Heptyl-5,5,6,6,7,7,7-d7 Alcohol
TRC-A579515-100MG4,4,5,5,6,6,7,7,7-Nonafluoroheptanoic Acid
sc-2268094,4,5,5,6,6,7,7,7-Nonafluoroheptyl iodide

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