Xanthoquinodin A1 , CAS No.151063-27-3

CAS: 151063-27-3 Cat. No.: X1419951 PubChem CID: 21676964

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Xanthoquinodin A1 is an anticoccidial antibiotic having a new xanthone-anthraquinone conjugate system.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: CC1=CC2=C(C(=C1)O)C(=C3C(=O)C4C=CC3(C2=O)CC5=CC6=C(C(=C45)O)C(=C7C(=O)CCC(C7(O6)C(=O)OC)O)O)O
• IUPAC Name: methyl (1R,7R,8S,17S)-8,13,15,20,22-pentahydroxy-24-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.01,19.03,16.05,14.07,12.021,26]nonacosa-3,5(14),12,15,19,21(26),22,24,28-nonaene-7-carboxylate
• InChIKey: XCWGCTNGDUDAMO-SLAVHBLRSA-N
• INCHI: 1S/C31H24O11/c1-11-7-14-20(16(33)8-11)26(37)23-24(35)13-5-6-30(23,28(14)39)10-12-9-17-21(25(36)19(12)13)27(38)22-15(32)3-4-18(34)31(22,42-17)29(40)41-2/h5-9,13,18,33-34,36-38H,3-4,10H2,1-2H3/t13-,18-,30-,31-/m0/s1
• Isomeric SMILES: CC1=CC2=C(C(=C1)O)C(=C3C(=O)[C@H]4C=C[C@]3(C2=O)CC5=CC6=C(C(=C45)O)C(=C7C(=O)CC[C@@H]([C@@]7(O6)C(=O)OC)O)O)O
• PubChem CID: 21676964

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: Naphthols and derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Cyclohexenones Beta hydroxy acids and derivatives Alkyl aryl ethers Vinylogous acids Methyl esters Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Enols Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - 1-naphthol - Naphthalene - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Beta-hydroxy acid - Cyclohexenone - Hydroxy acid - Benzenoid - Cyclic alcohol - Vinylogous acid - Methyl ester - Ketone - Carboxylic acid ester - Secondary alcohol - Oxacycle - Monocarboxylic acid or derivatives - Ether - Enol - Carboxylic acid derivative - Polyol - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran 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