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

CAS: 88378-59-0 Cat. No.: A329397 분자식: C₂₅H₃₆O₄ 분자량: 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

개요

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

동의어

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

사양 및 순도

≥95%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥95%

이름과 식별자

• 정식 스마일: 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+
• 이성체 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
• 분자량: 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
    • 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: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in ethanol, methanol, DMF, and DMSO.
• 굴절률: n20D1.53
• 분자량: 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