Citral - Moligand™, 10mM in DMSO , Channel blocker of TRPV2;Activator of TRPV3, CAS No.5392-40-5, Channel blocker of TRPV2;Activator of TRPV3

CAS: 5392-40-5 Cat. No.: C424608 分子式: C₁₀H₁₆O 分子量: 152.24 Beilstein Registry Number: 1(4)3569 EC番号: 226-394-6

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

EINECS 226-394-6 | LMPR0102010003 | alpha -Citral | beta-Geranial | geranal | (2E)-3,7-Dimethyl-2,6-octadienal | UNII-758ZMW724E | CITRAL (E109) | EC 205-476-5 | .alpha.-Citral | AI3-28519 | Citral, 95% | Citral-A | NCGC00091550-03 | 2,6-Octadienal, 3,7-d

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

Citral is a mixture of neral (cis isomer of 3,7-dimethyl-2,6-octadienal) and geranial (trans isomer of 3,7-dimethyl-2,6-octadienal). It exhibits antimicrobial activity and pheromonal effects and is generally used for the synthesis of vitamin A and ionones.Citral is a monoterpene aldehyde used as an aromatic ingredient in food and cosmetic industry.

Specifications

同義語

EINECS 226-394-6 | LMPR0102010003 | alpha -Citral | beta-Geranial | geranal | (2E)-3,7-Dimethyl-2,6-octadienal | UNII-758ZMW724E | CITRAL (E109) | EC 205-476-5 | .alpha.-Citral | AI3-28519 | Citral, 95% | Citral-A | NCGC00091550-03 | 2,6-Octadienal, 3,7-d

仕様と純度

Moligand™, 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。

等級

Moligand™

アクションタイプ

ACTIVATOR, CHANNEL BLOCKER

作用メカニズム

Channel blocker of TRPV2;Activator of TRPV3

名前と識別子

パブケム・シド

528772193

カノニカル・スマイル

CC(=CCCC(=CC=O)C)C

IUPAC Name

(2E)-3,7-dimethylocta-2,6-dienal

InChIKey

WTEVQBCEXWBHNA-JXMROGBWSA-N

INCHI

1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+

異性体SMILES

CC(=CCC/C(=C/C=O)/C)C

RTECS

RG5075000

UN番号

2810

包装グループ

I

分子量

152.24

Beilstein

1(4)3569

Reaxy-Rn

970018

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=970018&ln=

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: Acyclic monoterpenoids
• Alternative Parents: Medium-chain aldehydes Enals Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic monoterpenoid - Medium-chain aldehyde - Enal - Alpha,beta-unsaturated aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.
• External Descriptors: Acyclic 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

関連ターゲット（人間）

TRPV3 Tchem Transient receptor potential cation channel subfamily V member 3 (1 Activities)

Discover Target: TRPV3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DGAT1 Tclin Diacylglycerol O-acyltransferase 1 (1719 Activities)

Discover Target: DGAT1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

Discover Target: RUNX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

関連ターゲット（非人間）

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meloidogyne incognita (862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Tetranychus urticae (2600 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

dengue virus type 2 (2400 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Tribolium castaneum (596 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 感度: Light sensitive.Heat and Air Sensitive
• 屈折率: 1.48982
• 引火点（°C）: 104°C
• 沸点（°C）: 229°C
• 分子量: 152.230 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• 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: 171.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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