Zederone , CAS No.7727-79-9

CAS: 7727-79-9 Cat. No.: Z647659 Molecular Weight: 246.30 PubChem CID: 101286196

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Overview

Zederone, a germacrane-type sesquiterpene, has potently cytotoxic against human white blood cancer cells and human prostate cancer cells. Zederone significantly inhibits the proliferation and downregulates the protein expressions of mTOR , and phosphorylated p70 S6 kinase (p-p70s6K) in SKOV3 cells.

Specifications

Biochemical and Physiological Mechanisms

Zederone, a germacrane-type sesquiterpene, has potently cytotoxic against human white blood cancer cells and human prostate cancer cells. Zederone significantly inhibits the proliferation and downregulates the protein expressions of mTOR , and phosphoryla

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC1=CCCC2(C(O2)C(=O)C3=C(C1)OC=C3C)C
• IUPAC Name: (3R,5R,8Z)-5,9,14-trimethyl-4,12-dioxatricyclo[9.3.0.03,5]tetradeca-1(11),8,13-trien-2-one
• InChIKey: CVIVANCKIBYAOP-HBXAWUERSA-N
• INCHI: 1S/C15H18O3/c1-9-5-4-6-15(3)14(18-15)13(16)12-10(2)8-17-11(12)7-9/h5,8,14H,4,6-7H2,1-3H3/b9-5-/t14-,15+/m0/s1
• Isomeric SMILES: C/C/1=C/CC[C@@]2([C@@H](O2)C(=O)C3=C(C1)OC=C3C)C
• PubChem CID: 101286196
• MeSH Entry Terms: zederone
• Molecular Weight: 246.30

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Germacrane sesquiterpenoids
• Alternative Parents: Aryl alkyl ketones Heteroaromatic compounds Furans Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Germacrane sesquiterpenoid - Aryl ketone - Aryl alkyl ketone - Furan - Heteroaromatic compound - Ketone - Organoheterocyclic compound - Ether - Oxirane - Oxacycle - Dialkyl ether - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as germacrane sesquiterpenoids. These are sesquiterpenoids having the germacrane skeleton, with a structure characterized by a cyclodecane ring substituted with an isopropyl and two methyl groups.
• 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