Kakuol - ≥98% , CAS No.18607-90-4

CAS: 18607-90-4 Cat. No.: K412660 분자식: C₁₀H₁₀O₄ 분자량: 194.18

GRADE & PURITY ≥98%

Synonyms

AC-34390 | HY-N2446 | Kakuol | 1-(6-Hydroxy-1,3-benzodioxol-5-yl)-1-propanone # | FT-0775497 | 1-(6-HYDROXY-2H-1,3-BENZODIOXOL-5-YL)PROPAN-1-ONE | 1-Propanone,1-(6-hydroxy-1,3-benzodioxol-5-yl)- | MFCD24717047 | 1-(6-hydroxybenzo[d][1,3]dioxol-5-yl)propan

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Information

Kakuol Kakuol is a natural compound extracted from the rhizomes of Asarum sieboldii with antifungal activity.

Specifications

동의어

AC-34390 | HY-N2446 | Kakuol | 1-(6-Hydroxy-1,3-benzodioxol-5-yl)-1-propanone # | FT-0775497 | 1-(6-HYDROXY-2H-1,3-BENZODIOXOL-5-YL)PROPAN-1-ONE | 1-Propanone,1-(6-hydroxy-1,3-benzodioxol-5-yl)- | MFCD24717047 | 1-(6-hydroxybenzo[d][1,3]dioxol-5-yl)propan

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

Kakuol is a natural compound extracted from the rhizomes of Asarum sieboldii with antifungal activity.

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

Pubchem Sid

528765079

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528765079

정식 스마일

CCC(=O)C1=CC2=C(C=C1O)OCO2

IUPAC Name

1-(6-hydroxy-1,3-benzodioxol-5-yl)propan-1-one

InChIKey

SLLMHZXMVHNZOR-UHFFFAOYSA-N

INCHI

1S/C10H10O4/c1-2-7(11)6-3-9-10(4-8(6)12)14-5-13-9/h3-4,12H,2,5H2,1H3

이성체 SMILES

CCC(=O)C1=CC2=C(C=C1O)OCO2

분자량

194.18

Reaxy-Rn

1344132

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1344132&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzodioxoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Benzodioxoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodioxoles
• Alternative Parents: Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodioxole - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Vinylogous acid - Ketone - Oxacycle - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
• External Descriptors: benzodioxoles

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

화학 및 물리적 특성

• 용해성: Solubility (25°C) In vitro Ethanol: mg/mL
• 감도: Light sensitive
• 분자량: 194.180 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 194.058 Da
• Monoisotopic Mass: 194.058 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 228.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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