MiMeDB: Showing metabocard for Silybin B (MMDBc0009732)

Microbial

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 02:08:53 UTC

Update Date

2022-08-12 19:58:34 UTC

Metabolite ID

MMDBc0009732

Metabolite Identification

Common Name

Silybin B

Description

Silybin B, also known as silibinin a or alepa-forte, belongs to the class of organic compounds known as flavonolignans. These are non-conventional lignans that derived from flavonoids. They are characterized by a p-dioxin ring substituted at one carbon atom by a C3C6 (phenylpropan) group and fused to the B-ring of the 2-phenylchromene moiety. Based on a literature review a significant number of articles have been published on Silybin B.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Alepa-forte	MeSH
Ardeyhepan	MeSH
HepaBesch	MeSH
Hepar-pasc	MeSH
Durasilymarin	MeSH
Silybin a	MeSH
Cefasilymarin	MeSH
Heparsyx	MeSH
Silibinin a	MeSH
Silibin	MeSH
Silibinin	MeSH
Silybin	MeSH
Alepa forte	MeSH
Hepa merz sil	MeSH
Heplant	MeSH
Lagosa	MeSH
Silibinin b	MeSH
Legalon forte	MeSH
2,3 Dehydrosilybin	MeSH
2,3-Dehydrosilybin	MeSH
Hepa loges	MeSH
Hepa-merz sil	MeSH
Hepar pasc	MeSH
Hepa-loges	MeSH
Silybinin	MeSH

Molecular Formula

C₂₅H₂₂O₁₀

Average Mass

482.441

Monoisotopic Mass

482.121296908

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1

InChI Key

SEBFKMXJBCUCAI-WAABAYLZSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonolignans. These are non-conventional lignans that derived from flavonoids. They are characterized by a p-dioxin ring substituted at one carbon atom by a C3C6 (phenylpropan) group and fused to the B-ring of the 2-phenylchromene moiety.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Flavonolignans

Sub Class

Not Available

Direct Parent

Flavonolignans

Alternative Parents

Substituents

Flavonolignan
Hydroxyflavonoid
3-hydroxyflavonoid
Flavanonol
Flavanone
7-hydroxyflavonoid
5-hydroxyflavonoid
Flavan
Phenylbenzodioxane
2-phenylbenzo-1,4-dioxane
Chromone
1-benzopyran
Methoxyphenol
Benzopyran
Chromane
Benzodioxane
Benzo-1,4-dioxane
Phenoxy compound
Anisole
Methoxybenzene
Aryl alkyl ketone
Aryl ketone
Phenol ether
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Phenol
1-hydroxy-4-unsubstituted benzenoid
Benzenoid
Para-dioxin
Monocyclic benzene moiety
Vinylogous acid
Secondary alcohol
Ketone
Polyol
Organoheterocyclic compound
Ether
Oxacycle
Alcohol
Organooxygen compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1		Metabolic reconstruction
nah	1		Metabolic reconstruction

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

1265998

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

1548994

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Showing metabocard for Silybin B (MMDBc0009732)

MOL for #<Metabolite:0x00005624c9cff000>

3D MOL for #<Metabolite:0x00005624c9cff000>

3D SDF for #<Metabolite:0x00005624c9cff000>

3D-SDF for #<Metabolite:0x00005624c9cff000>

PDB for #<Metabolite:0x00005624c9cff000>

3D PDB for #<Metabolite:0x00005624c9cff000>

SMILES for #<Metabolite:0x00005624c9cff000>

INCHI for #<Metabolite:0x00005624c9cff000>

Structure for #<Metabolite:0x00005624c9cff000>

3D Structure for #<Metabolite:0x00005624c9cff000>