MiMeDB: Showing metabocard for Hypericin (MMDBc0012901)

Microbial

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 04:19:18 UTC

Update Date

2022-08-12 19:59:17 UTC

Metabolite ID

MMDBc0012901

Metabolite Identification

Common Name

Hypericin

Description

hypericin, also known as SGX-301 or hypericum red, belongs to the class of organic compounds known as benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system. Based on a literature review a significant number of articles have been published on hypericin.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1,3,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro(1,10,9,8-opqra)perylene-7,14-dione	MeSH
SGX-301	MeSH
Hipericin	MeSH
Hypericum red	MeSH
mono-(123I)iodohypericin	MeSH

Molecular Formula

C₃₀H₁₆O₈

Average Mass

504.45

Monoisotopic Mass

504.084517475

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,33-38H,1-2H3

InChI Key

YDOIFHVUBCIUHF-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Benzo-e-pyrene
Benzo-a-pyrene
Perylenequinone
Triphenylene
Chrysene
Phenanthrol
Phenanthrene
Anthracene
1-naphthol
2-naphthol
1-hydroxy-2-unsubstituted benzenoid
Vinylogous acid
Polyol
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic 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

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

This table shows at most 5 pathways. For the full list of associated pathways:

See All Associated Bacterial Pathways

Name	SMPDB/PathBank	Species

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	Basidiomycota	1		Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	1

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

C00033685

Chemspider ID

78432577

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Hypericin

METLIN ID

Not Available

PubChem Compound

3663

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

References

Synthesis Reference

Not Available

General References

Showing metabocard for Hypericin (MMDBc0012901)

MOL for #<Metabolite:0x00007f2a6ec18690>

3D MOL for #<Metabolite:0x00007f2a6ec18690>

3D SDF for #<Metabolite:0x00007f2a6ec18690>

3D-SDF for #<Metabolite:0x00007f2a6ec18690>

PDB for #<Metabolite:0x00007f2a6ec18690>

3D PDB for #<Metabolite:0x00007f2a6ec18690>

SMILES for #<Metabolite:0x00007f2a6ec18690>

INCHI for #<Metabolite:0x00007f2a6ec18690>

Structure for #<Metabolite:0x00007f2a6ec18690>

3D Structure for #<Metabolite:0x00007f2a6ec18690>