Vomifoliol - ≥97% , CAS No.23526-45-6

CAS: 23526-45-6 Cat. No.: V649212 Summenformel: C₁₃H₂₀O₃ Molekulargewicht: 224.30 PubChem CID: 5280462

GRADE & PURITY ≥97%

Synonyms

(+-)-6-hydroxy-3-oxo-alpha-ionol | (4S)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one | SCHEMBL1243896 | 2-Cyclohexen-1-one, 4-hydroxy-4-((1E,3R)-3-hydroxy-1-butenyl)-3,5,5-trimethyl-, (4S)- | NSC-805019 | Q22911785 | (6S,9R)

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Vomifoliol, a compound related to abscisie acid (ABA), has a modified 2,4-pentadiene side chain and has activity equal to that displayed by ABA. Vomifoliol exhibits antiacetylcholinesterase activity and displays moderate antileishmanial activity.

Form:Solid

Specifications

Synonyme

(+-)-6-hydroxy-3-oxo-alpha-ionol | (4S)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one | SCHEMBL1243896 | 2-Cyclohexen-1-one, 4-hydroxy-4-((1E,3R)-3-hydroxy-1-butenyl)-3,5,5-trimethyl-, (4S)- | NSC-805019 | Q22911785 | (6S,9R)

Spezifikationen & Reinheit

≥97%

Biochemische und physiologische Mechanismen

Vomifoliol, a compound related to abscisie acid (ABA), has a modified 2,4-pentadiene side chain and has activity equal to that displayed by ABA. Vomifoliol exhibits antiacetylcholinesterase activity and displays moderate antileishmanial activity.

Storage

Protected from light,Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Aktionsart

INHIBITOR

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C
• IUPAC Name: (4S)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
• InChIKey: KPQMCAKZRXOZLB-KOIHBYQTSA-N
• INCHI: 1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1
• Isomere SMILES: CC1=CC(=O)CC([C@]1(/C=C/[C@@H](C)O)O)(C)C
• Alternative CAS-Nummer: 50763-73-0,23526-45-6
• PubChem CID: 5280462
• MeSH-Eintrag: vomifoliol
• Molekulargewicht: 224.30

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Cyclohexenones Tertiary alcohols Secondary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Sesquiterpenoid - Cyclofarsesane sesquiterpenoid - Megastigmane sesquiterpenoid - Ionone derivative - Cyclohexenone - Tertiary alcohol - Ketone - Secondary alcohol - Cyclic ketone - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• External Descriptors: (6S)-vomifoliol

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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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 50 mg/mL (222.92 mM; Need ultrasonic)
• Molekulargewicht: 224.300 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 224.141 Da
• Monoisotopic Mass: 224.141 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 352.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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