Gentisin - Moligand™, ≥95% , CAS No.437-50-3

CAS: 437-50-3 Cat. No.: G709555 Formula: C₁₄H₁₀O₅ Peso molecolare: 258.23 PubChem CID: 5281636

QUALITÀ & PUREZZA Moligand™, ≥95%

Synonyms

3-methoxyeuxanthone | 1,7-Dihydroxy-3-methoxy-9H-xanthen-9-one | 1,7-dihydroxy-3-methoxy-9h-xanthen-9-on | 1,7-dihydroxy-3-methoxyxanthen-9-one

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Panoramica

Gentisin has mutagenic activity. Gentisin can be used in vascular smooth muscle research.

Specifiche

Sinonimi

3-methoxyeuxanthone | 1,7-Dihydroxy-3-methoxy-9H-xanthen-9-one | 1,7-dihydroxy-3-methoxy-9h-xanthen-9-on | 1,7-dihydroxy-3-methoxyxanthen-9-one

Specifiche e purezza

Moligand™, ≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Purezza

≥95%

Proprietà del prodotto

ALogP

2.8

Nomi e identificatori

Sorrisi canonici

COC1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O

IUPAC Name

1,7-dihydroxy-3-methoxyxanthen-9-one

InChIKey

XOXYHGOIRWABTC-UHFFFAOYSA-N

INCHI

1S/C14H10O5/c1-18-8-5-10(16)13-12(6-8)19-11-3-2-7(15)4-9(11)14(13)17/h2-6,15-16H,1H3

Isomeri SMILES

COC1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O

PubChem CID

5281636

Peso molecolare

258.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes
            • Level7 Xanthones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans - Xanthenes
• Direct Parent: Xanthones
• Alternative Parents: Chromones Anisoles Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthone - Chromone - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous acid - Ether - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.
• External Descriptors: aromatic ether - polyphenol - xanthones

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

Obiettivi associati (umani)

MGAM Tclin Maltase-glucoamylase (654 Activities)

Discover Target: MGAM

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

A549 (127892 Activities)

Explore this target

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

NCI/ADR-RES (33767 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: light and moisture sensitive
• Peso molecolare: 258.230 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 258.053 Da
• Monoisotopic Mass: 258.053 Da
• Topological Polar Surface Area: 76.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 358.000
• 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