Thermopsine - analytischer Standard, ≥98% , CAS No.486-90-8

CAS: 486-90-8 Cat. No.: T698543 Summenformel: C₁₅H₂₀N₂O Molekulargewicht: 244.33 EG-Nummer: 864-681-3 PubChem CID: 638234

QUALITÄT & REINHEIT Analytical standard, ≥98%

Storage

Room temperature

Spezifikationen

Spezifikationen & Reinheit

analytischer Standard, ≥98%

Storage

Room temperature

Note

Analytischer Standard

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

C1CCN2CC3CC(C2C1)CN4C3=CC=CC4=O

IUPAC Name

(1R,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one

InChIKey

FQEQMASDZFXSJI-UPJWGTAASA-N

INCHI

1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11-,12-,13+/m1/s1

Isomere SMILES

C1CCN2C[C@H]3C[C@@H]([C@@H]2C1)CN4C3=CC=CC4=O

PubChem CID

638234

Molekulargewicht

244.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Klasse Lupin alkaloids
      • Subclass Anagyrine-type alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Klasse: Lupin alkaloids
• Subclass: Anagyrine-type alkaloids
• Intermediate Tree Nodes: Not available
• Direct Parent: Anagyrine-type alkaloids
• Alternative Parents: Quinolizidines Pyridinones Aralkylamines Piperidines Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Anagyrine-type alkaloid - Quinolizidine - Pyridinone - Aralkylamine - Piperidine - Pyridine - Heteroaromatic compound - Lactam - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as anagyrine-type alkaloids. These are lupin alkaloids with a structure based on the anagyrine skeleton. Anagyrine is a tetracyclic ketone containing a quinolizidine, and two pyridine rings fused together to form dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one.
• 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

Zugehörige Ziele (menschlich)

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 244.330 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 244.158 Da
• Monoisotopic Mass: 244.158 Da
• Topological Polar Surface Area: 23.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 440.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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