Galangin-3-rutinoside

Name: Galangin-3-rutinoside
SKU: ACM16268501
Rating: 5 (1 reviews)

CAS

16268-50-1

Catalog Number

ACM16268501

Category

Main Products

Molecular Weight

578.52

Molecular Formula

C27H30O14

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Specification

Synonyms

5,7-dihydroxy-2-phenyl-3-((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)methyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one

Appearance

Off-white to yellow powder

Molecular Docking Study of Galangin-3-Rutinoside

Fallah, Mahdi Soleyman, et al. Biointerface Research in Applied Chemistry, 2021, 11(5), 12916-12924.

This work performed molecular docking on the effective compounds in antiviral herbal compounds, such as Galangin-3-rutinoside, to study their binding with the X-ray structure of the ACE2 binding domain of SARS-CoV-2.
· In molecular docking validation, the strength of binding is ranked as follows: Floralginsenoside B > Floralginsenoside E > Cyanidin-3-rutinoside > Floralquinquenoside D > Floralginsenoside C > Floralginsenoside F > Galangin-3-rutinoside.
· Table 1 presents the top seven ligand molecules, each with varying docking scores and interactions with amino acids in the SARS-CoV-2 spike RBD pocket. The interactions between the active compounds and the receptor binding domain are illustrated in the accompanying figure.
· Galangin-3-rutinoside, which has a docking score of -6.31 Kcal/mole, primarily interacts with the active site residues of 6M0J through hydrogen bonds, with Glu 465, Ser 459, and Lys 458 being crucial to the docking interaction.

What is the molecular formula of Galangin-3-rutinoside?

The molecular formula of Galangin-3-rutinoside is C27H30O14.

What is the IUPAC name of Galangin-3-rutinoside?

The IUPAC name of Galangin-3-rutinoside is 5,7-dihydroxy-2-phenyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one.

What is the molecular weight of Galangin-3-rutinoside?

The molecular weight of Galangin-3-rutinoside is 578.5 g/mol.

What are the synonyms of Galangin-3-rutinoside?

The synonyms of Galangin-3-rutinoside include 16268-50-1, 5,7-dihydroxy-2-phenyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one, FT-0771148, and 5,7-dihydroxy-2-phenyl-3-((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)methyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one.

What is the InChIKey of Galangin-3-rutinoside?

The InChIKey of Galangin-3-rutinoside is AWCXRDFBKSQPEQ-KBKLVHHOSA-N.

How many hydrogen bond donor counts does Galangin-3-rutinoside have?

Galangin-3-rutinoside has 8 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Galangin-3-rutinoside have?

Galangin-3-rutinoside has 14 hydrogen bond acceptor counts.

How many rotatable bond counts does Galangin-3-rutinoside have?

Galangin-3-rutinoside has 6 rotatable bond counts.

What is the exact mass of Galangin-3-rutinoside?

The exact mass of Galangin-3-rutinoside is 578.16355563 g/mol.

Is Galangin-3-rutinoside a canonicalized compound?

Yes, Galangin-3-rutinoside is a canonicalized compound.