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 분자식: C₁₀H₁₆O 분자량: 152.24 Beilstein Registry Number: 1(4)3569 EC 번호: 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

개요

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

동의어

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

사양 및 순도

Moligand™, 10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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등급

Moligand™

작업 유형

ACTIVATOR, CHANNEL BLOCKER

작동 메커니즘

Channel blocker of TRPV2;Activator of TRPV3

이름과 식별자

• Pubchem Sid: 528772193
• 정식 스마일: 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+
• 이성체 SMILES: CC(=CCC/C(=C/C=O)/C)C
• RTECS: RG5075000
• UN 번호: 2810
• 포장 그룹: I
• 분자량: 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
    • 분류 Prenol lipids
      • Subclass Monoterpenoids

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

관련 대상(인간)

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

관련 대상(비인간)

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)

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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)

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

작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive.Heat and Air Sensitive
• 굴절률: 1.48982
• 발화점(°C): 104°C
• 끓는점(°C): 229°C
• 분자량: 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