Jamaicin , CAS No.24211-36-7

CAS: 24211-36-7 Cat. No.: J343431 Formula: C₂₂H₁₈O₆ Peso molecolare: 378.37

Synonyms

3-(6-Methoxy-1,3-benzodioxol-5-yl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b′]dipyran-4-one | 3-[2-Methoxy-4,5-(methylenedioxy)phenyl]-8,8-dimethyl-4H,8H-Benzo[1,2-b:3,4-b′]dipyran-4-one

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Jamaicin is a naturally occurring isoflavone. The highly oxygenated versions of isoflavones have estrogenic activity. Crude preparations of these compounds have also been used as fish narcotics, insecticides, and antifungals. Jamaicin is also structurally similar to Berberine .

Specifications

Sinonimi

3-(6-Methoxy-1,3-benzodioxol-5-yl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b′]dipyran-4-one | 3-[2-Methoxy-4,5-(methylenedioxy)phenyl]-8,8-dimethyl-4H,8H-Benzo[1,2-b:3,4-b′]dipyran-4-one

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

• Sorrisi canonici: CC1(C=CC2=C(O1)C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4OC)OCO5)C
• IUPAC Name: 3-(6-methoxy-1,3-benzodioxol-5-yl)-8,8-dimethylpyrano[2,3-f]chromen-4-one
• InChIKey: WITLAWYGGVAFLU-UHFFFAOYSA-N
• INCHI: 1S/C22H18O6/c1-22(2)7-6-12-16(28-22)5-4-13-20(23)15(10-25-21(12)13)14-8-18-19(27-11-26-18)9-17(14)24-3/h4-10H,11H2,1-3H3
• Isomeri SMILES: CC1(C=CC2=C(O1)C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4OC)OCO5)C
• Peso molecolare: 378.37
• Reaxy-Rn: 352116
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=352116&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Isoflavonoids
      • Subclass Pyranoisoflavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Isoflavonoids
• Subclass: Pyranoisoflavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyranoisoflavonoids
• Alternative Parents: Isoflavones Pyranochromenes 2,2-dimethyl-1-benzopyrans Chromones Benzodioxoles Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyranoisoflavonoid - Isoflavone - Pyranochromene - 2,2-dimethyl-1-benzopyran - Chromone - Benzopyran - 1-benzopyran - Benzodioxole - Anisole - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Organoheterocyclic compound - Ether - Oxacycle - Acetal - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyranoisoflavonoids. These are isoflavonoids that contain a pyran ring fused to either of the A, B, or C ring of the isoflavonoid skeleton.
• External Descriptors: Isoflavonoids

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.

DOI: 10.1186/s13321-016-0174-y

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 378.400 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 378.11 Da
• Monoisotopic Mass: 378.11 Da
• Topological Polar Surface Area: 63.200 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 697.000
• 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

Domande frequenti

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 24211-36-7, the molecular formula is C22H18O6, and the molecular weight is 378.37 g/mol. InChIKey WITLAWYGGVAFLU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.