Actinopyrone A - ≥95% , CAS No.88378-59-0

CAS: 88378-59-0 Cat. No.: A329397 分子式: C₂₅H₃₆O₄ 分子量: 400.55

GRADE & PURITY ≥95%

Synonyms

Compound NP-009131 | 4H-Pyran-4-one, 2-(10-hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraenyl)-6-methoxy-3,5-dimethyl- | SS 12538A | Actinopyrone A | 2-[(2E,5E,7E,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-6-methoxy-3,5-dimethylpy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Product description：

Actinopyrone A is isolated from Streptomyces sp|with documented activity against Helicobacter pylori|that is both potent, with an MIC 0.0001 g/ml, and selective. Historically the compound was originally identified for having weak activity against some dermatophytes and Gram-positive bacteria along with coronary vasodilating activity.

Specifications

同義語

Compound NP-009131 | 4H-Pyran-4-one, 2-(10-hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraenyl)-6-methoxy-3,5-dimethyl- | SS 12538A | Actinopyrone A | 2-[(2E,5E,7E,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-6-methoxy-3,5-dimethylpy

仕様と純度

≥95%

保管条件

Store at -20°C

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。

純度

≥95%

名前と識別子

• カノニカル・スマイル: CC=C(C)C(C(C)C=C(C)C=CCC(=CCC1=C(C(=O)C(=C(O1)OC)C)C)C)O
• IUPAC Name: 2-[(2E,5E,7E,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-6-methoxy-3,5-dimethylpyran-4-one
• InChIKey: PFVSUJLJFXJPMF-CBXUJFJJSA-N
• INCHI: 1S/C25H36O4/c1-9-18(4)23(26)19(5)15-17(3)12-10-11-16(2)13-14-22-20(6)24(27)21(7)25(28-8)29-22/h9-10,12-13,15,19,23,26H,11,14H2,1-8H3/b12-10+,16-13+,17-15+,18-9+
• 異性体SMILES: C/C=C(\C)/C(C(C)/C=C(\C)/C=C/C/C(=C/CC1=C(C(=O)C(=C(O1)OC)C)C)/C)O
• 分子量: 400.55
• Reaxy-Rn: 8650428
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8650428&ln=

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: Fatty alcohols Pyranones and derivatives Alkyl aryl ethers Vinylogous esters Heteroaromatic compounds Secondary alcohols Cyclic ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Farsesane sesquiterpenoid - Sesquiterpenoid - Fatty alcohol - Alkyl aryl ether - Pyranone - Pyran - Fatty acyl - Heteroaromatic compound - Vinylogous ester - Secondary alcohol - Cyclic ketone - Ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic 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

化学的性質と物理的性質

• 溶解度: Soluble in ethanol, methanol, DMF, and DMSO.
• 屈折率: n20D1.53
• 分子量: 400.500 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 400.261 Da
• Monoisotopic Mass: 400.261 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 788.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 4
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 1