(±)-Decursinol - ≥98% , CAS No.5993-18-0

CAS: 5993-18-0 Cat. No.: D651628 분자식: C₁₄H₁₄O₄ 분자량: 246.26 PubChem CID: 600671

GRADE & PURITY ≥98%

Synonyms

(+/-)-Prantschimgin | HY-N2567 | MS-23484 | DL-Decursinol | 7-hydroxy-8,8-dimethyl-7,8-dihydro-6h-pyrano[3,2-g]chromen-2-one | AC-35106 | 3',4'-dihydro-3'-hydroxy-Xanthyletin | (??)-Decursinol | (+/-)-Decursinol | CHEBI:167957 | 3-hydroxy-2,2-dimethyl-3,4

Storage

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

Shipped In

Wet ice

개요

(±)-Decursinol is a potent FtsZ inhibitor. (±)-Decursinol inhibits B. anthracis FtsZ polymerization with an IC 50 of 102 μM.

Form:Solid

Specifications

동의어

(+/-)-Prantschimgin | HY-N2567 | MS-23484 | DL-Decursinol | 7-hydroxy-8,8-dimethyl-7,8-dihydro-6h-pyrano[3,2-g]chromen-2-one | AC-35106 | 3',4'-dihydro-3'-hydroxy-Xanthyletin | (??)-Decursinol | (+/-)-Decursinol | CHEBI:167957 | 3-hydroxy-2,2-dimethyl-3,4

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

(±)-Decursinol is a potent FtsZ inhibitor. (±)-Decursinol inhibits B. anthracis FtsZ polymerization with an IC 50 of 102 μM.

보관 조건

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

배송

Wet ice

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작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

• 정식 스마일: CC1(C(CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C
• IUPAC Name: 3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
• InChIKey: BGXFQDFSVDZUIW-UHFFFAOYSA-N
• INCHI: 1S/C14H14O4/c1-14(2)12(15)6-9-5-8-3-4-13(16)17-10(8)7-11(9)18-14/h3-5,7,12,15H,6H2,1-2H3
• 이성체 SMILES: CC1(C(CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C
• PubChem CID: 600671
• 분자량: 246.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Coumarins and derivatives
      • Subclass Pyranocoumarins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Coumarins and derivatives
• Subclass: Pyranocoumarins
• Intermediate Tree Nodes: Not available
• Direct Parent: Linear pyranocoumarins
• Alternative Parents: Pyranochromenes 2,2-dimethyl-1-benzopyrans Pyranones and derivatives Alkyl aryl ethers Benzenoids Heteroaromatic compounds Secondary alcohols Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Linear pyranocoumarin - Pyranochromene - 2,2-dimethyl-1-benzopyran - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Secondary alcohol - Ether - Oxacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as linear pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) linearly fused to a coumarin 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 (406.07 mM; Need ultrasonic)
• 분자량: 246.260 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 246.089 Da
• Monoisotopic Mass: 246.089 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 387.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5993-18-0, the molecular formula is C14H14O4, and the molecular weight is 246.26 g/mol. InChIKey BGXFQDFSVDZUIW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.