Precocene ii - ≥98% , CAS No.644-06-4

CAS: 644-06-4 Cat. No.: P340378 분자식: C₁₃H₁₆O₃ 분자량: 220.26 Beilstein Registry Number: 160683 EC 번호: 211-408-5 PubChem CID: 12565

GRADE & PURITY ≥98%

Synonyms

CHEBI:35606 | NSC 318792 | Ageratochromene | STL564529 | UNII-1W2R4TRY5H | AI3-36847 | BRN 0160683 | Prococene II | C09018 | NSC318792 | NSC-318792 | 6,7-Dimethoxy-2,2-dimethyl-2H-1-benzopyran | 6,7-Dimethoxy-2,2-dimethyl2H-1-benzopyran | EINECS 211-408-5

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Anti-juvenile hormones that are found in plants. This ends up inducing reversible sterilization and precocious metamorphosis in insects by suppressing the function of the corpora allata gland.

Specifications

동의어

CHEBI:35606 | NSC 318792 | Ageratochromene | STL564529 | UNII-1W2R4TRY5H | AI3-36847 | BRN 0160683 | Prococene II | C09018 | NSC318792 | NSC-318792 | 6,7-Dimethoxy-2,2-dimethyl-2H-1-benzopyran | 6,7-Dimethoxy-2,2-dimethyl2H-1-benzopyran | EINECS 211-408-5

사양 및 순도

≥98%

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 528766796
• 정식 스마일: CC1(C=CC2=CC(=C(C=C2O1)OC)OC)C
• IUPAC Name: 6,7-dimethoxy-2,2-dimethylchromene
• InChIKey: PTIDGSWTMLSGAH-UHFFFAOYSA-N
• INCHI: 1S/C13H16O3/c1-13(2)6-5-9-7-11(14-3)12(15-4)8-10(9)16-13/h5-8H,1-4H3
• 이성체 SMILES: CC1(C=CC2=CC(=C(C=C2O1)OC)OC)C
• WGK 독일: 3
• RTECS: DJ2527000
• PubChem CID: 12565
• 분자량: 220.26
• Beilstein: 160683

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,2-dimethyl-1-benzopyrans
• Alternative Parents: Anisoles Alkyl aryl ethers Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2,2-dimethyl-1-benzopyran - Anisole - Alkyl aryl ether - Benzenoid - Oxacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position.
• External Descriptors: chromenes

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)

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

관련 대상(비인간)

Pseudomonas fluorescens (1630 Activities)

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Escherichia coli (133304 Activities)

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Staphylococcus (1598 Activities)

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Bacillus subtilis (32866 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Candida albicans (78123 Activities)

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Leptinotarsa decemlineata (1161 Activities)

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Oncopeltus fasciatus (71 Activities)

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Fusarium graminearum (1554 Activities)

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Pieris brassicae (110 Activities)

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Aphididae (16 Activities)

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Sitophilus granarius (35 Activities)

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Trogoderma granarium (29 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in chloroform, ethyl acetate, and water (partly miscible).
• 감도: Light sensitive
• 굴절률: n20D1.51 (Predicted)
• 끓는점(°C): 300° C at 760 mmHg (Predicted)
• 녹는점(°C): 42-440° C (lit.)
• 분자량: 220.260 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 220.11 Da
• Monoisotopic Mass: 220.11 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 272.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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