Curdione - 10mM in DMSO , CAS No.13657-68-6

CAS: 13657-68-6 Cat. No.: C421390 分子式: C₁₅H₂₄O₂ 分子量: 236.35

GRADE & PURITY 10mM in DMSO

Synonyms

Curdione|13657-68-6|Germacr-1(10)-ene-5,8-dione|(3S,6E,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione|(+)-Curdione|(3S,6E,10S)-6,10-dimethyl-3-(propan-2-yl)cyclodec-6-ene-1,4-dione|Cyclodecene-1,4-dione, 6,10-dimethyl-3-(1-methylethyl)-, (3S-(3R

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

Curdione inhibits CYP3A4 activity and the production of prostaglandin E2. Curdione inhibits proliferation of MCF-7 cells by inducing apoptosis. Curdione may be a candidate for anti-inflammatory and Y chemopreventive agents.

Specifications

同義語

Curdione | 13657-68-6 | Germacr-1(10)-ene-5,8-dione | (3S,6E,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione | (+)-Curdione | (3S,6E,10S)-6,10-dimethyl-3-(propan-2-yl)cyclodec-6-ene-1,4-dione | Cyclodecene-1,4-dione, 6,10-dimethyl-3-(1-methylethyl)-, (3S-(3R

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

製品の性質

• ALogP: 3.351
• hba_count: 2
• 回転可能な結合: 1

名前と識別子

• パブケム・シド: 528775487
• カノニカル・スマイル: CC1CCC=C(CC(=O)C(CC1=O)C(C)C)C
• IUPAC Name: (3S,6E,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione
• InChIKey: KDPFMRXIVDLQKX-NHFJXKHHSA-N
• INCHI: 1S/C15H24O2/c1-10(2)13-9-14(16)12(4)7-5-6-11(3)8-15(13)17/h6,10,12-13H,5,7-9H2,1-4H3/b11-6+/t12-,13-/m0/s1
• 異性体SMILES: C[C@H]1CC/C=C(/CC(=O)[C@@H](CC1=O)C(C)C)\C
• 分子量: 236.35
• Reaxy-Rn: 1967392
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1967392&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Germacrane sesquiterpenoids
• Alternative Parents: Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Germacrane sesquiterpenoid - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• 説明: 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

化学的性質と物理的性質

• DMSO（mg / mL） 最大溶解度: 47
• DMSO（mM） 最大溶解度: 198.85774419329
• 分子量: 236.350 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 236.178 Da
• Monoisotopic Mass: 236.178 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 326.000
• 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

参考文献

1. Jingwei Liu, Tong Shu, Yiheng Mu, Wanlin Zheng, Xiaohuan Lu, Hong Tao.  (2025)  Curdione combined with borneol treats bacterial mixed HPV infection by regulating the crosstalk among immune cells.  Frontiers in Immunology,      [PMID:39911394] [10.3389/fimmu.2025.1503355]