(E,E)-Germacra-3,7(11),9-trien-6-one - 10mM in DMSO , CAS No.6902-91-6

CAS: 6902-91-6 Cat. No.: E580266 분자식: C₁₅H₂₂O 분자량: 218.34 EC 번호: 834-535-3

GRADE & PURITY 10mM in DMSO

Synonyms

CAULGCQHVOVVRN-UPAULDTKSA-N | G0519 | (3E,7E)-3,7-DIMETHYL-10-(1-METHYLETHYLIDENE)-3,7-CYCLODECADIEN-1-ONE | (3E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one | Germacron | SCHEMBL2551615 | (3E,7E)-3,7-Dimethyl-10-(propan-2-ylidene)cyclodec

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

동의어

CAULGCQHVOVVRN-UPAULDTKSA-N | G0519 | (3E,7E)-3,7-DIMETHYL-10-(1-METHYLETHYLIDENE)-3,7-CYCLODECADIEN-1-ONE | (3E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one | Germacron | SCHEMBL2551615 | (3E,7E)-3,7-Dimethyl-10-(propan-2-ylidene)cyclodec

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

• 정식 스마일: CC1=CCC(=C(C)C)C(=O)CC(=CCC1)C
• IUPAC Name: (3E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one
• InChIKey: CAULGCQHVOVVRN-SWZPTJTJSA-N
• INCHI: 1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h7-8H,5-6,9-10H2,1-4H3/b12-8+,13-7+
• 이성체 SMILES: C/C/1=C\CC(=C(C)C)C(=O)C/C(=C/CC1)/C
• 분자량: 218.34
• Reaxy-Rn: 30986981
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30986981&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Heat sensitive；Light sensitive
• 분자량: 218.330 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 218.167 Da
• Monoisotopic Mass: 218.167 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 363.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

참고 문헌

1. Yunguang Wang, Shaoting Wang, Qikai Luo, Yourou Zhou, Xingchen Li, Yiwei Shang, HuaiYu Wang, Egor Y. Plotnikov, Xinyu Liao, Wei Feng, Qiang He, Juan Jin.  (2025)  Engineered macrophage-targeted germacrone-bearing nanosheet achieves sequential treatment of acute kidney injury through macrophage polarization regulation and oxidative stress.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.165602]