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Licocoumarone

CAT: 0013-GTR19227728-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19227728-01Size:1 mg
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Description
Licocoumarone (CAS 118524-14-4) is a bioactive small molecule used in life science research. It serves as a valuable tool compound for in vitro studies investigating biological pathways and has been referenced in phytochemical research for its natural origin and potential bioactivity.
CAS Number
118524-14-4
Smiles
COc1c (CC=C (C) C) c (O) cc2oc (cc12) -c1ccc (O) cc1O
Molecular Formula
C20H20O5
Molecular Weight
340.375
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Licocoumarone

Licocoumarone is a member of the class of 1-benzofurans which consists of 1-benzofuran substituted by a hydroxy group at position 6, a methoxy group at position 4, a prenyl group at position 5 and a 2,4-dihydroxyphenyl group at position 2. It has been isolated from Glycyrrhiza uralensis. It has a role as an antibacterial agent, an EC 1.4.3.4 (monoamine oxidase) inhibitor, an apoptosis inducer and a plant metabolite. It is a member of resorcinols, an aromatic ether and a member of 1-benzofurans. It derives from a hydride of a 1-benzofuran.

CAS Number118524-14-4
PubChem CID503731
IUPAC Name4-[6-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)-1-benzofuran-2-yl]benzene-1,3-diol
Molecular FormulaC20H20O5
Molecular Weight340.4
XLogP4.8
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity475
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC(=C2)C3=C(C=C(C=C3)O)O)OC)C
InChI
InChI=1S/C20H20O5/c1-11(2)4-6-14-17(23)10-19-15(20(14)24-3)9-18(25-19)13-7-5-12(21)8-16(13)22/h4-5,7-10,21-23H,6H2,1-3H3
InChIKey
CNPMAFLUEHEXRE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Licocoumarone
CAS: 118524-14-4
CID: 503731
Formula: C20H20O5
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP34.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass340.13107373
Monoisotopic Mass340.13107373
Topological Polar Surface Area83.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity475
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

Alternative Products

CatalogName
MBS5791719Licocoumarone

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