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Pimpinellin - 10mM in DMSO, high purity , CAS No.131-12-4
Cas Number: 131-12-4
Molecular Weight: 246.22
PubChem CID:
4825
GABA Receptor Antagonists
Basic Description
Synonyms
pimpinellin | 131-12-4 | 5,6-Dimethoxy-2H-furo[2,3-H]chromen-2-one | 5,6-dimethoxyfuro[2,3-h]chromen-2-one | Pimpinecilin | Pimpinelline | CCRIS 4344 | 6,7-Dimethoxyangelicin | 2H-Furo(2,3-h)-1-benzopyran-2-one, 5,6-dimethoxy- | CHEBI:8213 | D419UK1B4L | 5,6-dimethoxy-2h-furo[
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Pimpinellin is a furocoumarin that acts as antagonist of proteins with GABA receptor activity.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Information
Pimpinellin Pimpinellin is a furocoumarin that acts as antagonist of proteins with GABA receptor activity.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Furanocoumarins
Intermediate Tree Nodes
Not available
Direct Parent
Angular furanocoumarins
Alternative Parents
1-benzopyrans Benzofurans Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular furanocoumarin - Benzopyran - 1-benzopyran - Benzofuran - Anisole - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Furan - Heteroaromatic compound - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as angular furanocoumarins. These are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin.
External Descriptors
a coumarin
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
5,6-dimethoxyfuro[2,3-h]chromen-2-one
INCHI
InChI=1S/C13H10O5/c1-15-11-7-3-4-9(14)18-10(7)8-5-6-17-12(8)13(11)16-2/h3-6H,1-2H3
InChIKey
BQPRWZCEKZLBHL-UHFFFAOYSA-N
Smiles
COC1=C(C2=C(C=CO2)C3=C1C=CC(=O)O3)OC
Isomeric SMILES
COC1=C(C2=C(C=CO2)C3=C1C=CC(=O)O3)OC
PubChem CID
4825
Molecular Weight
246.22
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
246.210 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
246.053 Da
Monoisotopic Mass
246.053 Da
Topological Polar Surface Area
57.900 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
366.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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