Hispidol - ≥98% , CAS No.5786-54-9

CAS: 5786-54-9 Cat. No.: H412270 Formula: C₁₅H₁₀O₄ Peso molecolare: 254.24

GRADE & PURITY ≥98%

Synonyms

(2Z)-6-hydroxy-2-[(4-hydroxyphenyl)methylidene]-1-benzofuran-3-one | (Z)-Hispidol | CS1235I0WT | 3(2H)-Benzofuranone, 6-hydroxy-2-((4-hydroxyphenyl)methylene)-, (2Z)- | Hispidol | NSC356828 | NSC-356828 | (2Z)-6-hydroxy-2-[(4-hydroxyphenyl)methylidene]-1-

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

Information

Hispidol ((Z)-Hispidol) is an inhibitor of TNF-α induced adhesion of monocytes to colon epithelial cells with IC50 of 0.50 µM. Hispidol is a potential therapeutic for inflammatory bowel disease.

Specifications

Sinonimi

(2Z)-6-hydroxy-2-[(4-hydroxyphenyl)methylidene]-1-benzofuran-3-one | (Z)-Hispidol | CS1235I0WT | 3(2H)-Benzofuranone, 6-hydroxy-2-((4-hydroxyphenyl)methylene)-, (2Z)- | Hispidol | NSC356828 | NSC-356828 | (2Z)-6-hydroxy-2-[(4-hydroxyphenyl)methylidene]-1-

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

Hispidol ((Z)-Hispidol) is an inhibitor of TNF-α induced adhesion of monocytes to colon epithelial cells with IC50 of 0.50 µM. Hispidol is a potential therapeutic for inflammatory bowel disease.

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 508810580
• Sorrisi canonici: C1=CC(=CC=C1C=C2C(=O)C3=C(O2)C=C(C=C3)O)O
• IUPAC Name: (2Z)-6-hydroxy-2-[(4-hydroxyphenyl)methylidene]-1-benzofuran-3-one
• InChIKey: KEZLDSPIRVZOKZ-AUWJEWJLSA-N
• INCHI: 1S/C15H10O4/c16-10-3-1-9(2-4-10)7-14-15(18)12-6-5-11(17)8-13(12)19-14/h1-8,16-17H/b14-7-
• Isomeri SMILES: C1=CC(=CC=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O)O
• Peso molecolare: 254.24
• Reaxy-Rn: 22564380
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22564380&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Aurone flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Aurone flavonoids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Aurone flavonoids
• Alternative Parents: Coumarans Benzofurans Aryl ketones 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aurone - Benzofuran - Coumaran - Aryl ketone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Ketone - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aurone flavonoids. These are flavonoids containing a 2-Benzylidene-1-benzofuran-3-one based core. Aurone flavonoids provide the bright yellow color of some important ornamental flowers, such as snapdragon (Antirrhinum majus).
• External Descriptors: aurones - Aurone flavonoids

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

Obiettivi associati (umani)

MAOB Tclin Amine oxidase [flavin-containing] B (1 Activities)

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MAOA Tclin Amine oxidase [flavin-containing] A (2 Activities)

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TYR Tclin Tyrosinase (717 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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MAOB Tclin Monoamine oxidase B (8835 Activities)

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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

Discover Target: ADORA1

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ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

Discover Target: ADORA2A

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NQO1 Tchem Quinone reductase 1 (1746 Activities)

Discover Target: NQO1

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HT-29 (80576 Activities)

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Huh-7 (12904 Activities)

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Obiettivi associati (non umani)

Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Plasmodium falciparum (966862 Activities)

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Rattus norvegicus (775804 Activities)

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RAW264.7 (28094 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 254.240 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 254.058 Da
• Monoisotopic Mass: 254.058 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 382.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1