Vomifoliol - ≥97% , CAS No.23526-45-6

CAS: 23526-45-6 Cat. No.: V649212 Formula: C₁₃H₂₀O₃ Peso molecolare: 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

Panoramica

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

Sinonimi

(+-)-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)

Specifiche e purezza

≥97%

Meccanismi biochimici e fisiologici

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.

Condizioni di conservazione di stoccaggio

Protected from light,Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri SMILES: CC1=CC(=O)CC([C@]1(/C=C/[C@@H](C)O)O)(C)C
• CAS alternativo: 50763-73-0,23526-45-6
• PubChem CID: 5280462
• Termini MeSH: vomifoliol
• Peso molecolare: 224.30

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrizione: 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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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO : 50 mg/mL (222.92 mM; Need ultrasonic)
• Peso molecolare: 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