(R)-(−)-Mellein - ≥98% , CAS No.480-33-1

CAS: 480-33-1 Cat. No.: M695544 Summenformel: C₁₀H₁₀O₃ Molekulargewicht: 178.18 PubChem CID: 114679

GRADE & PURITY ≥98%

Synonyms

3,4-dihydro-8-hydroxy-3-methyl-1H-2-benzopyran-1-one | Mellein | (R)-Mellein | Ochracin

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

(R)-(−)-Mellein is an antibiotic isolated from culture fluids of this Aspergillus. (R)-(−)-Mellein is a dihydroisocoumarin compound produced by A. ochraceus Wilhelm. It has a variety of biological activities including antibacterial, antimalarial, antifungal, and anticancer effects. (R)-(−)-Mellein inhibits proliferation of human breast cancer (MCF-7 and MDA-MB-468) and melanoma (SK-MEL-28 and Malme-3M) cell lines with IC50 values greater than 200 μM.

Specifications

Synonyme

3,4-dihydro-8-hydroxy-3-methyl-1H-2-benzopyran-1-one | Mellein | (R)-Mellein | Ochracin

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Produkteigenschaften

ALogP

2.4

Namen und Kennungen

Pubchem Sid

528753175

Kanonisches Lächeln

CC1CC2=C(C(=CC=C2)O)C(=O)O1

IUPAC Name

(3R)-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one

InChIKey

KWILGNNWGSNMPA-ZCFIWIBFSA-N

INCHI

1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3/t6-/m1/s1

Isomere SMILES

C[C@@H]1CC2=C(C(=CC=C2)O)C(=O)O1

PubChem CID

114679

Molekulargewicht

178.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzopyrans
      • Subclass 2-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzopyrans
• Subclass: 2-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-benzopyrans
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-benzopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Vinylogous acid - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position.
• 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

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MAOB Tclin Monoamine oxidase B (8835 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 178.180 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 178.063 Da
• Monoisotopic Mass: 178.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 214.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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