(+)-Pulegone - 10mM in DMSO , CAS No.89-82-7

CAS: 89-82-7 Cat. No.: P426743 分子式: C₁₀H₁₆O 分子量: 152.24 EC番号: 201-943-2 PubChem CID: 442495

GRADE & PURITY 10mM in DMSO

Synonyms

(5R)-5-methyl-2-(propan-2-ylidene)cyclohexanone | (R)-5-methyl-2-(propan-2-ylidene)cyclohexanone | C09893 | DTXCID6030312 | Pulegone,(S) | SCHEMBL38305 | doi:10.14272/NZGWDASTMWDZIW-MRVPVSSYSA-N.1 | R-(+)-Pulegone | STK801810 | DTXCID405975 | Tox21_200206

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

(R)-(+)-Pulegone, a monoterpene ketone found in essential oil of pennyroyal,[1] can induce abortion.
(R)-(+)-Pulegone may be used as a starting material to synthesize: · (2S,4R,6R,8S)-2,4,8-trimethyl-1,7-dioxaspiro[5.5]undecane, a spiroketal · (R)-(+)-citronellic acid, an intermediate to prepare leucine-d3 · (+)-fawcettidine, a Lycopodium alkaloid

Specifications

同義語

(5R)-5-methyl-2-(propan-2-ylidene)cyclohexanone | (R)-5-methyl-2-(propan-2-ylidene)cyclohexanone | C09893 | DTXCID6030312 | Pulegone,(S) | SCHEMBL38305 | doi:10.14272/NZGWDASTMWDZIW-MRVPVSSYSA-N.1 | R-(+)-Pulegone | STK801810 | DTXCID405975 | Tox21_200206

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。

アクションタイプ

ACTIVATOR

名前と識別子

• パブケム・シド: 528752702
• カノニカル・スマイル: CC1CCC(=C(C)C)C(=O)C1
• IUPAC Name: (5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one
• InChIKey: NZGWDASTMWDZIW-MRVPVSSYSA-N
• INCHI: 1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1
• 異性体SMILES: C[C@@H]1CCC(=C(C)C)C(=O)C1
• WGKドイツ: 3
• RTECS: OT0261000
• PubChem CID: 442495
• 分子量: 152.24

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Menthane monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - 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 menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.
• External Descriptors: Menthane monoterpenoids

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

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作用メカニズム

化学的性質と物理的性質

• 屈折率: 1.49
• 比旋光度［α］: 23° (neat)
• 引火点（°F）: 179.6 °F
• 引火点（°C）: 82°C
• 沸点（°C）: 224 °C
• 分子量: 152.230 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 152.12 Da
• Monoisotopic Mass: 152.12 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 197.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

参考文献

1. Huimin Liao, Jinghong Wang, Feiran Chen, Le Ya, Ningke Fan, Yinghua Shu, Zhenggao Xiao, Zhenyu Wang.  (2024)  Salicylic acid functionalized chitosan nanocomposite increases bioactive components and insect resistance of Agastache rugosa.  PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY,      [PMID:39477584] [10.1016/j.pestbp.2024.106131]