β-Eudesmol - ≥97% , CAS No.473-15-4

CAS: 473-15-4 Cat. No.: E463199 분자식: C15H26O 분자량: 222.37 EC 번호: 610-334-4

GRADE & PURITY ≥97%

Synonyms

beta-Eudesmol | beta-Selinenol | (2R,4aR,8aS)-Decahydro-8-methylene-α,α,4a-trimethyl-2-naphthylmethanol

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

개요

Description

β-Eudesmol is an aromatic, oxygenated sesquiterpene compound. It is primarily observed in the bark ofmangoliatrees and can also be extracted from other medical herbs such asCryptomeria japonica,Atractylodes lancea,Pterocarpus santalinus,Ginkgo biloba, andNardostachys jatamansi.β-Eudesmol has been used:as a treatment to test its antioxidant, anti-inflammatory, cell preservation effects on human dermal fibroblasts (HDFs)as a reference standard to investigate if metabolically engineeredE. coliextracted terpene synthase (Tps) genes encode for β-eudesmol synthase by using gas chromatography-mass spectrometry (GC/MS) analysisto test its antiviral effects against herpes simplex virus type 1 (HSV-1)to test its reversal effects of cocaine-induced planarian behavior

Specifications

동의어

beta-Eudesmol | beta-Selinenol | (2R,4aR,8aS)-Decahydro-8-methylene-α,α,4a-trimethyl-2-naphthylmethanol

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥97%

이름과 식별자

• Pubchem Sid: 528768833
• 정식 스마일: CC12CCCC(=C)C1CC(CC2)C(C)(C)O
• IUPAC Name: 2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol
• InChIKey: BOPIMTNSYWYZOC-VNHYZAJKSA-N
• INCHI: 1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,15-/m1/s1
• 이성체 SMILES: C[C@]12CCCC(=C)[C@@H]1C[C@@H](CC2)C(C)(C)O
• WGK 독일: 3
• 분자량: 222.37
• Reaxy-Rn: 1952404
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1952404&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
• Alternative Parents: Tertiary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoid - Tertiary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. These are sesquiterpenoids with a structure based on the eudesmane skeleton.
• External Descriptors: Eudesmanes

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)

Raji (5516 Activities)

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관련 대상(비인간)

Gpt Alanine aminotransferase (25 Activities)

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Drosophila melanogaster (359 Activities)

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Rattus norvegicus (775804 Activities)

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Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

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Colletotrichum fragariae (147 Activities)

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Colletotrichum gloeosporioides (560 Activities)

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Ileum (29 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in Ethanol、DMSO
• 감도: Air sensitive
• 녹는점(°C): 72 - 74 °C
• 분자량: 222.370 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 222.198 Da
• Monoisotopic Mass: 222.198 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 292.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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