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Praeruptorin B - 10mM in DMSO, high purity , CAS No.81740-07-0

    Grade & Purity:
  • 10mM in DMSO
In stock
Item Number
P426115
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P426115-1ml
1ml
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$241.90

Fatty Acid Synthase Inhibitors

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Compound libraries (12325)

Basic Description

Synonyms Praeruptorin B | 81740-07-0 | [8,8-dimethyl-9-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (E)-2-methylbut-2-enoate | (+/-)-Praeruptorin B | (-)-Praeruptorin B | 73069-26-8 | Praeruptorin-B | SCHEMBL3380751 | CHEMBL3596578 | 4970-26-7 | AKOS015
Specifications & Purity 10mM in DMSO
Biochemical and Physiological Mechanisms Praeruptorin B is an important compound isolated from Bai-hua Qian-hu and has been reported to exert multiple biochemical and pharmacological activities.praeruptorin B exerts lipid-lowering effects through inhibits SREBPs and could serve as a possible the
Storage Temp Store at -80°C
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Product Description

Information

Praeruptorin B Praeruptorin B is an important compound isolated from Bai-hua Qian-hu and has been reported to exert multiple biochemical and pharmacological activities.praeruptorin B exerts lipid-lowering effects through inhibits SREBPs and could serve as a possible therapeutic option to improve hyperlipidemia and hyperlipidemia-induced comorbidities.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Phenylpropanoids and polyketides
Class Coumarins and derivatives
Subclass Pyranocoumarins
Intermediate Tree Nodes Not available
Direct Parent Angular pyranocoumarins
Alternative Parents Pyranochromenes  2,2-dimethyl-1-benzopyrans  Pyranones and derivatives  Fatty acid esters  Alkyl aryl ethers  Dicarboxylic acids and derivatives  Benzenoids  Heteroaromatic compounds  Enoate esters  Lactones  Oxacyclic compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Angular pyranocoumarin - Pyranochromene - 2,2-dimethyl-1-benzopyran - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Fatty acid ester - Pyranone - Dicarboxylic acid or derivatives - Pyran - Fatty acyl - Benzenoid - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Carboxylic acid ester - Oxacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as angular pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety.
External Descriptors Not available

Associated Targets(non-human)

Abcb1b P-glycoprotein 1 (174 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
norA Quinolone resistance protein norA (2171 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

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 [8,8-dimethyl-9-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (E)-2-methylbut-2-enoate
INCHI InChI=1S/C24H26O7/c1-7-13(3)22(26)29-20-18-16(11-9-15-10-12-17(25)28-19(15)18)31-24(5,6)21(20)30-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7+,14-8+
InChIKey PNTWXEIQXBRCPS-FNCQTZNRSA-N
Smiles CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C(=CC)C
Isomeric SMILES C/C=C(\C)/C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)/C(=C/C)/C
PubChem CID 5319259
Molecular Weight 426.5

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 426.500 g/mol
XLogP3 4.300
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 6
Exact Mass 426.168 Da
Monoisotopic Mass 426.168 Da
Topological Polar Surface Area 88.100 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 835.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 2
Covalently-Bonded Unit Count 1

Solution Calculators

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