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

CAS: 124027-58-3 Cat. No.: K651148 분자식: C₅₆H₄₄O₁₃ 분자량: 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

개요

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

동의어

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

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

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

보관 조건

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

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

작업 유형

INHIBITOR

순수함

≥99%

이름과 식별자

• 정식 스마일: 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
• 이성체 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
• 대체 CAS: 124027-58-3
• PubChem CID: 484758
• MeSH 용어: kobophenol A
• 분자량: 924.94

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO : 100 mg/mL (108.12 mM; Need ultrasonic)
• 분자량: 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