(-)-Caryophyllene oxide - 10mM in DMSO , CAS No.1139-30-6

CAS: 1139-30-6 Cat. No.: C420695 Summenformel: C₁₅H₂₄O Molekulargewicht: 220.35 EG-Nummer: 214-519-7

GRADE & PURITY 10mM in DMSO

Synonyms

(-)Carophyllene oxide | [1R-(1R*,4R*,6R*,10S*)]- (-)-Epoxydihydrocaryophyllene (-)-<>-Caryophyllene epoxide (-)-<>-Caryophyllene oxide 4,11,11-Trimethyl-8-methylene-5-oxatricyclo(8.2.0.0(4,6))dodecane | C16908 | (-)-Caryophyllene oxide, >=99.0

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

(-)-Caryophyllene oxide is a carefully purified sesquiterpene that stereoselectively rearranges to an allyl alcohol.

Specifications

Synonyme

(-)Carophyllene oxide | [1R-(1R*,4R*,6R*,10S*)]- (-)-Epoxydihydrocaryophyllene (-)-<>-Caryophyllene epoxide (-)-<>-Caryophyllene oxide 4,11,11-Trimethyl-8-methylene-5-oxatricyclo(8.2.0.0(4,6))dodecane | C16908 | (-)-Caryophyllene oxide, >=99.0

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

β-caryophyllene oxide is a potent anti-cancer agent which also exerts antioxidant, anti-inflammatory, and antiviral properties.It is a strong inhibitor of drug-metabolizing enzyme cytochromes P4503A (CYP3A) activities both in rat and human hepatic microso

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

• Pubchem Sid: 528752727
• Kanonisches Lächeln: CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
• IUPAC Name: (1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane
• InChIKey: NVEQFIOZRFFVFW-RGCMKSIDSA-N
• INCHI: 1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1
• Isomere SMILES: C[C@@]12CC[C@@H]3[C@H](CC3(C)C)C(=C)CC[C@H]1O2
• WGK Deutschland: 2
• RTECS: RP5530000
• Molekulargewicht: 220.35
• Reaxy-Rn: 148213
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=148213&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Caryophyllane sesquiterpenoid - Sesquiterpenoid - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• External Descriptors: Caryophyllane sesquiterpenoids

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

Zugehörige Ziele (menschlich)

TRPV1 Tclin Vanilloid receptor (8273 Activities)

Discover Target: TRPV1

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HL (112 Activities)

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Zugehörige Ziele (nicht menschlich)

Chlamydia pneumoniae (241 Activities)

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Tetranychus urticae (2600 Activities)

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PC-12 (7051 Activities)

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Ileum (29 Activities)

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Jejunum (38 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 62-63° C (lit.)
• Molekulargewicht: 220.350 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 220.183 Da
• Monoisotopic Mass: 220.183 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 330.000
• 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

Referenzen

1. Pengfei Yang, Lingqi Kong, Qiongbo Wang, Qiang Liu, Xiujin Duan, Chen Hu, Zhengbo Feng, Qi Yang, Huabo Jv.  (2026)  Analysis of volatile compounds in Aglaia odorata flower extracts with different possessing methods by HS-SPME-GC-MS and E-nose.  Frontiers in Chemistry,      [PMID:41867951] [10.3389/fchem.2026.1746408]

2. Yu Guofeng, Gao Yuan, Feng Yuan, Qin Yanchong, Li Tianxiao, Xu Chunping, Jia Xuewei, Gao Mingqi.  (2026)  Key aroma compounds in Chimonanthus praecox: molecular simulation screening and functional packaging application.  FOOD SCIENCE AND BIOTECHNOLOGY,      [PMID:] [10.1007/s10068-026-02269-8]