Clausine Z - ≥95% , CAS No.866111-14-0

CAS: 866111-14-0 Cat. No.: C1033693 PubChem CID: 11436094

QUALITÄT & REINHEIT ≥95%

Storage

Room temperature

Spezifikationen

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Aktionsart

INHIBITOR

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

C1=CC2=C(C=C1O)C3=C(N2)C(=CC(=C3)C=O)O

IUPAC Name

1,6-dihydroxy-9H-carbazole-3-carbaldehyde

InChIKey

FKDULSCBYNXNMP-UHFFFAOYSA-N

INCHI

1S/C13H9NO3/c15-6-7-3-10-9-5-8(16)1-2-11(9)14-13(10)12(17)4-7/h1-6,14,16-17H

Isomere SMILES

C1=CC2=C(C=C1O)C3=C(N2)C(=CC(=C3)C=O)O

PubChem CID

11436094

MeSH-Eintrag

1,6-dihydroxy-9H-carbazole-3-carboxaldehyde;clausine Z

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Hydroxyindoles Indoles Aryl-aldehydes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - Hydroxyindole - Indole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl-aldehyde - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 227.210 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 227.058 Da
• Monoisotopic Mass: 227.058 Da
• Topological Polar Surface Area: 73.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 309.000
• 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