Isocurcumenol - ≥98% , CAS No.24063-71-6

CAS: 24063-71-6 Cat. No.: I647483 Peso molecular: 234.33 PubChem CID: 10399139

GRADE & PURITY ≥98%

Synonyms

AC-35033 | 5beta-Guaia-7(11),10(14)-dien-8alpha-ol, 5,8-epoxy-, (+)- | (1S,2S,5S,8R)-2-methyl-6-methylidene-9-propan-2-ylidene-11-oxatricyclo[6.2.1.01,5]undecan-8-ol | DTXSID701020836 | CHEBI:196142 | 3S-(3alpha,3aalpha,6alpha,8abeta)-Octahydro-3-methyl-8

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Isocurcumenol, an estrogen receptor alpha (ERα) inhibitor isolated from Curcuma zedoaria Rhizomes, possesses anti-tumor acticity, with IC 50 values of 99.1µg/mL and 178.2 µg/mL in DLA and KB cells, respectively.

In Vitro

Isocurcumenol (12.5-400 µg/mL, 24-48 h) dose-dependently inhibits cancer cells proliferation. isocurcumenol does not exhibit any significant toxicity on normal chicken embryo fibroblast cells and lymphocytes. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Sinónimos

AC-35033 | 5beta-Guaia-7(11), 10(14)-dien-8alpha-ol, 5, 8-epoxy-, (+)- | (1S, 2S, 5S, 8R)-2-methyl-6-methylidene-9-propan-2-ylidene-11-oxatricyclo[6.2.1.01, 5]undecan-8-ol | DTXSID701020836 | CHEBI:196142 | 3S-(3alpha, 3aalpha, 6alpha, 8abeta)-Octahydro-3-methyl-8

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Isocurcumenol, an estrogen receptor alpha (ERα) inhibitor isolated from Curcuma zedoaria Rhizomes, possesses anti-tumor acticity, with IC 50 values of 99.1µg/mL and 178.2 µg/mL in DLA and KB cells, respectively.

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1CCC2C13CC(=C(C)C)C(O3)(CC2=C)O
• IUPAC Name: (1S,2S,5S,8R)-2-methyl-6-methylidene-9-propan-2-ylidene-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
• InChIKey: DEBDFZGNZTYPMF-NZBPQXDJSA-N
• INCHI: 1S/C15H22O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h11-12,16H,3,5-8H2,1-2,4H3/t11-,12-,14-,15+/m0/s1
• Isómeros SMILES: C[C@H]1CC[C@@H]2[C@]13CC(=C(C)C)[C@](O3)(CC2=C)O
• CAS alternativo: 24063-71-6
• PubChem CID: 10399139
• Términos de entrada MeSH: isocurcumenol
• Peso molecular: 234.33

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Guaianes
• Alternative Parents: Oxanes Tetrahydrofurans Hemiacetals Cyclic alcohols and derivatives Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Guaiane sesquiterpenoid - Oxane - Tetrahydrofuran - Cyclic alcohol - Hemiacetal - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as guaianes. These are sesquiterpenoids with a structure based on the guaiane skeleton. Guaiane is a bicyclic compound consisting of a decahydroazulene moiety, substituted with two methyl groups and a 1-methylethyl group at the 1-, 4-, and 7-position, respectively.
• 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

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (426.75 mM; Need ultrasonic)
• Peso molecular: 234.330 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 234.162 Da
• Monoisotopic Mass: 234.162 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 419.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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