Precocene ii - ≥98% , CAS No.644-06-4

CAS: 644-06-4 Cat. No.: P340378 Molecular Weight: 220.26 Beilstein Registry Number: 160683 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CC1(C=CC2=CC(=C(C=C2O1)OC)OC)C
• WGK Germany: 3
• RTECS: DJ2527000
• PubChem CID: 12565
• Molecular Weight: 220.26
• Beilstein: 160683

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

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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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in chloroform, ethyl acetate, and water (partly miscible).
• Sensitivity: Light sensitive
• Refractive Index: n20D1.51 (Predicted)
• Boil Point(°C): 300° C at 760 mmHg (Predicted)
• Melt Point(°C): 42-440° C (lit.)
• Molecular Weight: 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