DIMBOA - ≥95% , CAS No.15893-52-4

CAS: 15893-52-4 Cat. No.: D334306 Formula: C₉H₉NO₅ Peso molecolare: 211.17 Beilstein Registry Number: 1078658

GRADE & PURITY ≥95%

Synonyms

DIMBOA | 2,4-dihydroxy-7-methoxy-4H-[1,4]benzoxazin-3-one | 2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one | AKOS024385514 | C04720 | HBO | 2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one | Q1748422 | GDNZNIJPBQATCZ-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

DIMBOA is a benzoxazinoid originating from graminaceous plant sources, including maize, wheat, and rye. DIMBOA has antibiotic activity. In addition to antibiotic activity, DIMBOA has growth inhibitory properties against many strains of studied bacteria and fungi. DIMBOA has potent free-radical scavenging ability, and a weaker iron (III) ions reducing activity.

Specifications

Sinonimi

DIMBOA | 2,4-dihydroxy-7-methoxy-4H-[1,4]benzoxazin-3-one | 2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one | AKOS024385514 | C04720 | HBO | 2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one | Q1748422 | GDNZNIJPBQATCZ-

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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Tipo di azione

INHIBITOR

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

528755487

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528755487

Sorrisi canonici

COC1=CC2=C(C=C1)N(C(=O)C(O2)O)O

IUPAC Name

2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one

InChIKey

GDNZNIJPBQATCZ-UHFFFAOYSA-N

INCHI

1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3

Isomeri SMILES

COC1=CC2=C(C=C1)N(C(=O)C(O2)O)O

Peso molecolare

211.17

Beilstein

1078658

Reaxy-Rn

1078658

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1078658&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzoxazines
      • Subclass Benzoxazinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzoxazines
• Subclass: Benzoxazinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxazinones
• Alternative Parents: Benzomorpholines Anisoles Alkyl aryl ethers Hydroxamic acids Hemiacetals Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxazinone - Benzomorpholine - Anisole - Alkyl aryl ether - Benzenoid - Oxazinane - Hemiacetal - Hydroxamic acid - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
• External Descriptors: aromatic ether - benzoxazine - cyclic hydroxamic acid - lactol

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 (non umani)

Staphylococcus aureus (210822 Activities)

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

Escherichia coli (133304 Activities)

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

Candida albicans (78123 Activities)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: n20D1.66 (Predicted)
• Punto di ebollizione (°C): ~461.3° C at 760 mmHg (Predicted)
• Punto di fusione (°C): 156-158° C
• Peso molecolare: 211.170 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 211.048 Da
• Monoisotopic Mass: 211.048 Da
• Topological Polar Surface Area: 79.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 259.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1