Kobophenol A - ≥99% , CAS No.124027-58-3

CAS: 124027-58-3 Cat. No.: K651148 分子式: C₅₆H₄₄O₁₃ 分子量: 924.94 PubChem CID: 484758

GRADE & PURITY ≥99%

Synonyms

E88760 | (2S,3S,2'R,3'R)-3'-(3,5-Dihydroxy-phenyl)-4-[(2S,3S,4R,5S)-4-(3,5-dihydroxy-phenyl)-2,5-bis-(4-hydroxy-phenyl)-tetrahydro-furan-3-yl]-2,2'-bis-(4-hydroxy-phenyl)-2,3,2',3'-tetrahydro-[3,4']bibenzofuranyl-6,6'-diol | AKOS040761955 | HY-126419 | DT

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

概要

Kobophenol A, an oligomeric stilbene, blocks the interaction between the ACE2 receptor and S1-RBD with an IC 50 of 1.81 μM and inhibits SARS-CoV-2 viral infection in cells with an EC 50 of 71.6 μM. Kobophenol A inhibits the activity of partially purified rat brain protein kinase C (PKC) with an IC 50 of 52 µM.

Form:Solid

Specifications

同義語

E88760 | (2S,3S,2'R,3'R)-3'-(3,5-Dihydroxy-phenyl)-4-[(2S,3S,4R,5S)-4-(3,5-dihydroxy-phenyl)-2,5-bis-(4-hydroxy-phenyl)-tetrahydro-furan-3-yl]-2,2'-bis-(4-hydroxy-phenyl)-2,3,2',3'-tetrahydro-[3,4']bibenzofuranyl-6,6'-diol | AKOS040761955 | HY-126419 | DT

仕様と純度

≥99%

生化学的・生理学的メカニズム

Kobophenol A, an oligomeric stilbene, blocks the interaction between the ACE2 receptor and S1-RBD with an IC 50 of 1.81 μM and inhibits SARS-CoV-2 viral infection in cells with an EC 50 of 71.6 μM. Kobophenol A inhibits the activity of partially purified

保管条件

Store at 2-8°C,Protected from light,Desiccated

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。

アクションタイプ

INHIBITOR

純度

≥99%

名前と識別子

• カノニカル・スマイル: C1=CC(=CC=C1C2C(C(C(O2)C3=CC=C(C=C3)O)C4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)O)O)C1=CC(=CC(=C1)O)O)O
• IUPAC Name: 5-[(2S,3R,4S,5S)-4-[(2S,3S)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]benzene-1,3-diol
• InChIKey: RAUCCLKIJHMTND-LUPMIFTGSA-N
• INCHI: 1S/C56H44O13/c57-33-9-1-27(2-10-33)53-47(31-17-37(61)21-38(62)18-31)49-43(23-41(65)25-45(49)67-53)52-50-44(24-42(66)26-46(50)68-55(52)29-5-13-35(59)14-6-29)51-48(32-19-39(63)22-40(64)20-32)54(28-3-11-34(58)12-4-28)69-56(51)30-7-15-36(60)16-8-30/h1-26,47-48,51-66H/t47-,48+,51-,52+,53+,54-,55-,56-/m1/s1
• 異性体SMILES: C1=CC(=CC=C1[C@@H]2[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)O)C4=C5[C@@H]([C@H](OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8[C@H]([C@@H](OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)O)O)C1=CC(=CC(=C1)O)O)O
• 代替CAS番号: 124027-58-3
• PubChem CID: 484758
• MeSH用語: kobophenol A
• 分子量: 924.94

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 2-arylbenzofuran flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: 2-arylbenzofuran flavonoids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-arylbenzofuran flavonoids
• Alternative Parents: Linear diarylheptanoids 7,8'-epoxylignans 7,7'-epoxylignans Dibenzylbutane lignans 1-phenylcoumarans Stilbenes Resorcinols Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Tetrahydrofurans Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-arylbenzofuran flavonoid - Linear 1,7-diphenylheptane skeleton - Tetrahydrofuran lignan - 7,7p-epoxylignan - 7,8p-epoxylignan - Furanoid lignan - Dibenzylbutane lignan skeleton - 1-phenylcoumaran - Stilbene - Coumaran - Resorcinol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Tetrahydrofuran - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.
• External Descriptors: Not available

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO : 100 mg/mL (108.12 mM; Need ultrasonic)
• 分子量: 924.900 g/mol
• XLogP3: 8.800
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 8
• Exact Mass: 924.278 Da
• Monoisotopic Mass: 924.278 Da
• Topological Polar Surface Area: 230.000 Ų
• Heavy Atom Count: 69
• Formal Charge: 0
• Complexity: 1640.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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