(E,E)-Germacra-3,7(11),9-trien-6-one - ≥95% , CAS No.6902-91-6

CAS: 6902-91-6 Cat. No.: G114057 Molecular Weight: 218.34 EC Number: 834-535-3

GRADE & PURITY ≥95%

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 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

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

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504764165
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764165
• Canonical Smiles: 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+
• Isomeric SMILES: C/C/1=C\CC(=C(C)C)C(=O)C/C(=C/CC1)/C
• Molecular Weight: 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
    • 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: 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
• 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

Chemical and Physical Properties

• Sensitivity: Heat sensitive；Light sensitive
• Molecular Weight: 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

References

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]