LW-213 - Moligand™ , CAS No.L611628

CAS: L611628 Cat. No.: L611628 PubChem CID: 145978851

GRADE & PURITY Moligand™

Synonyms

compound 18c;LW213

Storage

Room temperature

Specifications

Synonyms

compound 18c;LW213

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Names and Identifiers

Canonical Smiles

CN(CCCOc1c(OCc2ccccc2)cc(c2c1oc(cc2=O)c1ccccc1)O)C

IUPAC Name

8-[3-(dimethylamino)propoxy]-5-hydroxy-2-phenyl-7-phenylmethoxychromen-4-one

InChIKey

CZZGXKYKSUTFEU-UHFFFAOYSA-N

INCHI

1S/C27H27NO5/c1-28(2)14-9-15-31-26-24(32-18-19-10-5-3-6-11-19)17-22(30)25-21(29)16-23(33-27(25)26)20-12-7-4-8-13-20/h3-8,10-13,16-17,30H,9,14-15,18H2,1-2H3

Isomeric SMILES

CN(C)CCCOC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)OCC4=CC=CC=C4

PubChem CID

145978851

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Flavonoids
      • Subclass Hydroxyflavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Flavonoids
• Subclass: Hydroxyflavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 5-hydroxyflavonoids
• Alternative Parents: Chromones Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Beta-hydroxy ketones Benzene and substituted derivatives Alpha-branched alpha,beta-unsaturated ketones Vinylogous acids Heteroaromatic compounds Enones Acryloyl compounds Trialkylamines Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-hydroxyflavonoid - Chromone - 1-benzopyran - Benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Alkyl aryl ether - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Pyran - Beta-hydroxy ketone - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Tertiary aliphatic amine - Tertiary amine - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 5-hydroxyflavonoids. These are flavonoids that bear one hydroxyl group at the C-5 position of the flavonoid skeleton.
• 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

Associated Targets(Human)

MCF7 (126967 Activities)

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A549 (127892 Activities)

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Associated Targets(non-human)

B16 (5829 Activities)

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Mechanisms of Action

Frequently Asked Questions

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 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.