Corylin - ≥98% , CAS No.53947-92-5

CAS: 53947-92-5 Cat. No.: C418592 分子式: C₂₀H₁₆O₄ 分子量: 320.34

GRADE & PURITY ≥98%

Synonyms

CCG-267706 | AKOS032948696 | MFCD20260784 | BDBM50349976 | SCHEMBL1096083 | 3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-7-hydroxy-4H-1-benzopyran-4-one | 3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one | DTXSID601156014 | A870604 | MS-24730 | Corylin | s929

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

概要

Corylin has antioxidant activity. Corylin may stimulate bone formation or have potential activity against osteoporosis. Corylin shows an inhibitory effect on IL-6-induced STAT3 promoter activity in Hep3B cells.

Corylin is a major bioactive compound isolated from Psoralea corylifolia L; antibiotic or anticancer compound.

Specifications

同義語

CCG-267706 | AKOS032948696 | MFCD20260784 | BDBM50349976 | SCHEMBL1096083 | 3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-7-hydroxy-4H-1-benzopyran-4-one | 3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one | DTXSID601156014 | A870604 | MS-24730 | Corylin | s929

仕様と純度

≥98%

生化学的・生理学的メカニズム

Corylin is a flavonoid isolated from fruit and seed of medical herb Psoralea corylifolia that extend the replicative lifespan in yeast by targeting the Gtr1 protein. Also, Corylin extends lifespan in mice fed a high-fat diet. Corylin exhibits numerous pha

保管条件

Store at 2-8°C,Protected from light

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

製品の性質

ALogP

3.412

hba_count

3

HBD数

1

回転可能な結合

1

名前と識別子

パブケム・シド

488195331

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488195331

カノニカル・スマイル

CC1(C=CC2=C(O1)C=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4)O)C

IUPAC Name

3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one

InChIKey

PWAACAMQKVIVPZ-UHFFFAOYSA-N

INCHI

1S/C20H16O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)16-11-23-18-10-14(21)4-5-15(18)19(16)22/h3-11,21H,1-2H3

異性体SMILES

CC1(C=CC2=C(O1)C=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4)O)C

分子量

320.34

Reaxy-Rn

1395081

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1395081&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Isoflavonoids
• Subclass: Pyranoisoflavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyranoisoflavonoids
• Alternative Parents: Isoflavones Hydroxyisoflavonoids 2,2-dimethyl-1-benzopyrans Chromones Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyranoisoflavonoid - Isoflavone - Hydroxyisoflavonoid - 2,2-dimethyl-1-benzopyran - Chromone - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Heteroaromatic compound - Organoheterocyclic compound - Oxacycle - Ether - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• 説明: 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

関連ターゲット（非人間）

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作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO: 2 mg/mL, clear
• 感度: light sensitive
• DMSO（mg / mL） 最大溶解度: 64
• DMSO（mM） 最大溶解度: 199.788573741838
• 分子量: 320.300 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 320.105 Da
• Monoisotopic Mass: 320.105 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 576.000
• 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