Xanthorrhizol - ≥97% , CAS No.30199-26-9

CAS: 30199-26-9 Cat. No.: X274701 分子式: C₁₅H₂₂O 分子量: 218.33 EC番号: 250-090-2 PubChem CID: 93135

グレード＆純度 ≥97%

Synonyms

HY-112657 | (-)-Xanthorrizol | HB4127 | 5-[(1R)-1,5-dimethyl-4-hexen-1-yl]-2-methylphenol | EN300-6736093 | Org 6216 | ZWAVGFSZMACJHA-PMNBYGLBSA-N | SCHEMBL14879579 | 5-(1,5-Dimethyl-4-hexenyl)-2-methylphenol # | Phenol, 5-(1,5-dimethyl-4-hexenyl)-2-methy

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

概要

Store at -20°C. It is important to note that this product is reported to be light sensitive. Store In the Dark. Store under desiccating conditions.

仕様

同義語

HY-112657 | (-)-Xanthorrizol | HB4127 | 5-[(1R)-1,5-dimethyl-4-hexen-1-yl]-2-methylphenol | EN300-6736093 | Org 6216 | ZWAVGFSZMACJHA-PMNBYGLBSA-N | SCHEMBL14879579 | 5-(1,5-Dimethyl-4-hexenyl)-2-methylphenol # | Phenol, 5-(1,5-dimethyl-4-hexenyl)-2-methy

仕様と純度

≥97%

生化学的・生理学的メカニズム

Antioxidant agent (IC 50 = 2 μM, copper-mediated oxidation of LDL). Antiproliferative agent. Activates caspase-3 and caspase-9. Modulates PARP-1 protein. Induces cytochrome c release. Shows apoptotic, antibacterial, antifungal, anticancer, phytoestrogenic

保管条件

Protected from light,Store at -20°C,Desiccated

入荷

Ice chest + Ice pads

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。

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥97%

名前と識別子

カノニカル・スマイル

CC1=C(C=C(C=C1)C(C)CCC=C(C)C)O

IUPAC Name

2-methyl-5-[(2R)-6-methylhept-5-en-2-yl]phenol

InChIKey

FKWGCEDRLNNZOZ-GFCCVEGCSA-N

INCHI

1S/C15H22O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-10,12,16H,5,7H2,1-4H3/t12-/m1/s1

異性体SMILES

CC1=C(C=C(C=C1)[C@H](C)CCC=C(C)C)O

PubChem CID

93135

分子量

218.33

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Aromatic monoterpenoids Ortho cresols Toluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bisabolane sesquiterpenoid - Sesquiterpenoid - P-cymene - O-cresol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• External Descriptors: Not available

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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fabI Enoyl-acyl-carrier protein reductase (415 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in ethanol and in DMSO
• 感度: light sensitive
• 分子量: 218.330 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 218.167 Da
• Monoisotopic Mass: 218.167 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 228.000
• 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