Monascorubrin - ≥98% , CAS No.13283-90-4

CAS: 13283-90-4 Cat. No.: M650081 Molecular Weight: 382.45 PubChem CID: 12118084

GRADE & PURITY ≥98%

Synonyms

Monasred | Q27286726 | PRW98QJ428 | CHEBI:156408 | DTXSID101037235 | (9aR)-9a-methyl-3-octanoyl-6-[(1E)-prop-1-en-1-yl]-2H-furo[3,2-g]isochromene-2,9(9aH)-dione | HY-N8492 | (9aR)-9a-methyl-3-octanoyl-6-[(1E)-prop-1-en-1-yl]-2H-furo[3,2-g][2]benzopyran-2,

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Monascorubrin is purified from the mycelium of Monascus purpureus. Monascorubrin has significant antibiotic activities against Bacillus subtilis and Candida pseudotropicalis.

Form:Solid

Specifications

Synonyms

Monasred | Q27286726 | PRW98QJ428 | CHEBI:156408 | DTXSID101037235 | (9aR)-9a-methyl-3-octanoyl-6-[(1E)-prop-1-en-1-yl]-2H-furo[3, 2-g]isochromene-2, 9(9aH)-dione | HY-N8492 | (9aR)-9a-methyl-3-octanoyl-6-[(1E)-prop-1-en-1-yl]-2H-furo[3, 2-g][2]benzopyran-2,

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Monascorubrin is purified from the mycelium of Monascus purpureus . Monascorubrin has significant antibiotic activities against Bacillus subtilis and Candida pseudotropicalis.

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCCCC(=O)C1=C2C=C3C=C(OC=C3C(=O)C2(OC1=O)C)C=CC
• IUPAC Name: (9aR)-9a-methyl-3-octanoyl-6-[(E)-prop-1-enyl]furo[3,2-g]isochromene-2,9-dione
• InChIKey: IIPVSGPTPPURBD-HAOIVFDCSA-N
• INCHI: 1S/C23H26O5/c1-4-6-7-8-9-11-19(24)20-18-13-15-12-16(10-5-2)27-14-17(15)21(25)23(18,3)28-22(20)26/h5,10,12-14H,4,6-9,11H2,1-3H3/b10-5+/t23-/m1/s1
• Isomeric SMILES: CCCCCCCC(=O)C1=C2C=C3C=C(OC=C3C(=O)[C@@]2(OC1=O)C)/C=C/C
• PubChem CID: 12118084
• Molecular Weight: 382.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Annonaceous acetogenins
• Alternative Parents: Cyclohexenones Alpha-acyloxy ketones Pyrans Butenolides Vinylogous esters Enoate esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Annonaceae acetogenin skeleton - Cyclohexenone - Alpha-acyloxy ketone - 2-furanone - Pyran - Dihydrofuran - Enoate ester - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketone - Lactone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as annonaceous acetogenins. These are waxy derivatives of fatty acids (usually C32 or C34), containing a terminal carboxylic acid combined with a 2-propanol unit at the C-2 position to form a methyl- substituted alpha,beta-unsaturated-gamma-lactone. One of their interesting structural features is a single, adjacent, or nonadjacent tetrahydrofuran (THF) or tetrahydropyran (THP) system with one or two flanking hydroxyl group(s) at the center of a long hydrocarbon chain.
• 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

Associated Targets(Human)

A-431 (6446 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NCI-H460 (60772 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 382.400 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 382.178 Da
• Monoisotopic Mass: 382.178 Da
• Topological Polar Surface Area: 69.700 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 865.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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