declovanillobiocin - Moligand™ , CAS No.744218-20-0

CAS: 744218-20-0 Cat. No.: D609787 PubChem CID: 54697399

GRADE & PURITY Moligand™

Synonyms

novclobiocin 313

Storage

Room temperature

Specifications

Sinónimos

novclobiocin 313

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Nombres e identificadores

Sonrisas canónicas

Cc1ccc([nH]1)C(=O)O[C@H]1[C@H]([C@@H](OC([C@@H]1OC)(C)C)Oc1cc2c(cc1)c(c(c(=O)o2)NC(=O)c1cc(c(cc1)O)OC)O)O

IUPAC Name

[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[(4-hydroxy-3-methoxybenzoyl)amino]-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate

InChIKey

JURYCYSCKRZQLD-YYZJCXNBSA-N

INCHI

1S/C31H32N2O12/c1-14-6-10-18(32-14)28(38)44-25-24(36)30(45-31(2,3)26(25)41-5)42-16-8-9-17-20(13-16)43-29(39)22(23(17)35)33-27(37)15-7-11-19(34)21(12-15)40-4/h6-13,24-26,30,32,34-36H,1-5H3,(H,33,37)/t24-,25+,26-,30-/m1/s1

Isómeros SMILES

CC1=CC=C(N1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)OC3=CC4=C(C=C3)C(=C(C(=O)O4)NC(=O)C5=CC(=C(C=C5)O)OC)O)O

PubChem CID

54697399

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Coumarins and derivatives
      • Subclass Coumarin glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Coumarins and derivatives
• Subclass: Coumarin glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarin glycosides
• Alternative Parents: Phenolic glycosides 4-hydroxycoumarins Hexoses O-glycosyl compounds 1-benzopyrans Methoxyphenols Benzamides Phenoxy compounds Anisoles Benzoyl derivatives Pyrrole carboxylic acids and derivatives Methoxybenzenes Alkyl aryl ethers Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles Oxanes Heteroaromatic compounds Vinylogous acids Secondary alcohols Lactones Carboxylic acid esters Secondary carboxylic acid amides Azacyclic compounds Acetals Dialkyl ethers Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin o-glycoside - Coumarin-7-o-glycoside - Phenolic glycoside - 4-hydroxycoumarin - Hydroxycoumarin - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Methoxyphenol - 1-benzopyran - Benzopyran - Benzamide - Benzoic acid or derivatives - Anisole - Phenol ether - Phenoxy compound - Pyrrole-2-carboxylic acid or derivatives - Benzoyl - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyranone - Monosaccharide - Benzenoid - Oxane - Monocyclic benzene moiety - Pyran - Substituted pyrrole - Vinylogous acid - Heteroaromatic compound - Pyrrole - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Lactone - Monocarboxylic acid or derivatives - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Dialkyl ether - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety.
• 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

Objetivos asociados (no humanos)

gyrB DNA gyrase subunit B (290 Activities)

Discover Target: gyrB

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

gyrA DNA gyrase subunit A (187 Activities)

Discover Target: gyrA

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

Mecanismos de acción

Preguntas frecuentes

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 744218-20-0. InChIKey JURYCYSCKRZQLD-YYZJCXNBSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.