NP-MRD: Showing NP-Card for 4-{3,5-dihydroxy-4-[3,4,5-trihydroxy-2-(3,4,5-trihydroxyphenoxy)phenoxy]phenoxy}-5-{4-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-2,6-dihydroxyphenoxy}benzene-1,2,3-triol (NP0255644)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-07 20:12:08 UTC

Updated at

2022-09-07 20:12:08 UTC

NP-MRD ID

NP0255644

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-{3,5-dihydroxy-4-[3,4,5-trihydroxy-2-(3,4,5-trihydroxyphenoxy)phenoxy]phenoxy}-5-{4-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-2,6-dihydroxyphenoxy}benzene-1,2,3-triol

Description

5-[4-(6-{4-[2,4-Dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-2,6-dihydroxyphenoxy}-2,3,4-trihydroxyphenoxy)-2,6-dihydroxyphenoxy]-4-(3,4,5-trihydroxyphenoxy)benzene-1,2,3-triol belongs to the class of organic compounds known as tannins. These are naturally occurring polyphenols which be categorized into four main classes: Hydrolyzable tannin (based on ellagic acid or gallic acid), condensed tannins (made of oligomeric or polymeric proanthocyanidins), complex tannins (made of a catechin bound to a gallotannin or elagitannin), and phlorotannins (oligomers of phloroglucinol). 4-{3,5-dihydroxy-4-[3,4,5-trihydroxy-2-(3,4,5-trihydroxyphenoxy)phenoxy]phenoxy}-5-{4-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-2,6-dihydroxyphenoxy}benzene-1,2,3-triol is found in Sargassum spinuligerum. Based on a literature review very few articles have been published on 5-[4-(6-{4-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-2,6-dihydroxyphenoxy}-2,3,4-trihydroxyphenoxy)-2,6-dihydroxyphenoxy]-4-(3,4,5-trihydroxyphenoxy)benzene-1,2,3-triol.

Structure

MOL SDF PDB SMILES InChI

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₂H₃₀O₂₄

Average Mass

918.6780 Da

Monoisotopic Mass

918.11270 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

Not Available

InChI Key

ANEGWBLBWDOHGR-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Sargassum spinuligerum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tannins. These are naturally occurring polyphenols which be categorized into four main classes: Hydrolyzable tannin (based on ellagic acid or gallic acid), condensed tannins (made of oligomeric or polymeric proanthocyanidins), complex tannins (made of a catechin bound to a gallotannin or elagitannin), and phlorotannins (oligomers of phloroglucinol).

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Tannins

Sub Class

Not Available

Direct Parent

Tannins

Alternative Parents

Substituents

Tannin
Diphenylether
Diaryl ether
Benzenetriol
Phloroglucinol derivative
Pyrogallol derivative
Resorcinol
Phenol ether
Phenoxy compound
1-hydroxy-4-unsubstituted benzenoid
Phenol
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Monocyclic benzene moiety
Polyol
Ether
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Not Available

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

163195718

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4-{3,5-dihydroxy-4-[3,4,5-trihydroxy-2-(3,4,5-trihydroxyphenoxy)phenoxy]phenoxy}-5-{4-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-2,6-dihydroxyphenoxy}benzene-1,2,3-triol (NP0255644)

MOL for NP0255644 (4-{3,5-dihydroxy-4-[3,4,5-trihydroxy-2-(3,4,5-trihydroxyphenoxy)phenoxy]phenoxy}-5-{4-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-2,6-dihydroxyphenoxy}benzene-1,2,3-triol)

3D MOL for NP0255644 (4-{3,5-dihydroxy-4-[3,4,5-trihydroxy-2-(3,4,5-trihydroxyphenoxy)phenoxy]phenoxy}-5-{4-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-2,6-dihydroxyphenoxy}benzene-1,2,3-triol)

3D SDF for NP0255644 (4-{3,5-dihydroxy-4-[3,4,5-trihydroxy-2-(3,4,5-trihydroxyphenoxy)phenoxy]phenoxy}-5-{4-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-2,6-dihydroxyphenoxy}benzene-1,2,3-triol)

3D-SDF for NP0255644 (4-{3,5-dihydroxy-4-[3,4,5-trihydroxy-2-(3,4,5-trihydroxyphenoxy)phenoxy]phenoxy}-5-{4-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-2,6-dihydroxyphenoxy}benzene-1,2,3-triol)

PDB for NP0255644 (4-{3,5-dihydroxy-4-[3,4,5-trihydroxy-2-(3,4,5-trihydroxyphenoxy)phenoxy]phenoxy}-5-{4-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-2,6-dihydroxyphenoxy}benzene-1,2,3-triol)

3D PDB for NP0255644 (4-{3,5-dihydroxy-4-[3,4,5-trihydroxy-2-(3,4,5-trihydroxyphenoxy)phenoxy]phenoxy}-5-{4-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-2,6-dihydroxyphenoxy}benzene-1,2,3-triol)

SMILES for NP0255644 (4-{3,5-dihydroxy-4-[3,4,5-trihydroxy-2-(3,4,5-trihydroxyphenoxy)phenoxy]phenoxy}-5-{4-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-2,6-dihydroxyphenoxy}benzene-1,2,3-triol)

INCHI for NP0255644 (4-{3,5-dihydroxy-4-[3,4,5-trihydroxy-2-(3,4,5-trihydroxyphenoxy)phenoxy]phenoxy}-5-{4-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-2,6-dihydroxyphenoxy}benzene-1,2,3-triol)

Structure for NP0255644 (4-{3,5-dihydroxy-4-[3,4,5-trihydroxy-2-(3,4,5-trihydroxyphenoxy)phenoxy]phenoxy}-5-{4-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-2,6-dihydroxyphenoxy}benzene-1,2,3-triol)

3D Structure for NP0255644 (4-{3,5-dihydroxy-4-[3,4,5-trihydroxy-2-(3,4,5-trihydroxyphenoxy)phenoxy]phenoxy}-5-{4-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-2,6-dihydroxyphenoxy}benzene-1,2,3-triol)