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

CAS: 24063-71-6 Cat. No.: I647483 Formule: C₁₅H₂₂O₂ Poids moléculaire: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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.

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

C[C@H]1CC[C@@H]2[C@]13CC(=C(C)C)[C@](O3)(CC2=C)O

CAS alternatif

24063-71-6

PubChem CID

10399139

Termes d'entrée MeSH

isocurcumenol

Poids moléculaire

234.33

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: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: DMSO : 100 mg/mL (426.75 mM; Need ultrasonic)
• Poids moléculaire: 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

Foire aux questions

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 ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 24063-71-6, the molecular formula is C15H22O2, and the molecular weight is 234.33 g/mol. InChIKey DEBDFZGNZTYPMF-NZBPQXDJSA-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.