Showing metabocard for isorotiorin (MMDBc0060773)
Microbial
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| Version | 2.0 | ||||||||||||
| Status | Detected and Quantified | ||||||||||||
| Creation Date | 2025-10-02 22:57:10 UTC | ||||||||||||
| Update Date | 2025-10-08 21:35:20 UTC | ||||||||||||
| Metabolite ID | MMDBc0060773 | ||||||||||||
| Metabolite Identification | |||||||||||||
| Common Name | isorotiorin | ||||||||||||
| Description | isorotiorin is a member of the azaphilone chemical class, characterized by its unique bicyclic structure that features a fused isoquinoline and phenolic moiety. This compound is synthesized through polyketide biosynthetic pathways, specifically involving highly reducing and non-reducing polyketide synthases (PKS), as evidenced by the knockout studies of the sclA and sclI genes, which demonstrated a loss of mycelial pigmentation and halted the production of several sclerotiorin-like metabolites, including isorotiorin (PMID:36708387 ). Isorotiorin, along with other azaphilones, has been isolated from the culture broth of Penicillium multicolor FO-2338, a known producer of isochromophilones that inhibit gp120-CD4 binding (PMID:36708387 ). This highlights its role in the complex biosynthetic landscape of fungal metabolites and suggests potential pathways for further exploration in both chemical and biological contexts. | ||||||||||||
| Structure |  | ||||||||||||
| Synonyms | Not Available | ||||||||||||
| Molecular Formula | C23H28O5 | ||||||||||||
| Average Mass | 384.472 | ||||||||||||
| Monoisotopic Mass | 384.193674002 | ||||||||||||
| IUPAC Name | Not Available | ||||||||||||
| Traditional Name | Not Available | ||||||||||||
| CAS Registry Number | Not Available | ||||||||||||
| SMILES | Not Available | ||||||||||||
| InChI Identifier | Not Available | ||||||||||||
| InChI Key | MUZXNENCXNWLKC-SRGKMVLISA-N | ||||||||||||
| Chemical Taxonomy | |||||||||||||
| Description | Belongs to the class of organic compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. | ||||||||||||
| Kingdom | Organic compounds | ||||||||||||
| Super Class | Organic oxygen compounds | ||||||||||||
| Class | Organooxygen compounds | ||||||||||||
| Sub Class | Carbonyl compounds | ||||||||||||
| Direct Parent | Cyclohexenones | ||||||||||||
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| Substituents |
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| Molecular Framework | Aliphatic heteropolycyclic compounds | ||||||||||||
| External Descriptors | Not Available | ||||||||||||
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| Physical Properties | |||||||||||||
| State | Not Available | ||||||||||||
| Predicted Properties | Not Available | ||||||||||||
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| Retention Times | Not Available | ||||||||||||
| Retention Indices | Not Available | ||||||||||||
| Biological Properties | |||||||||||||
| Cellular Locations | Not Available | ||||||||||||
| Biospecimen Locations | Not Available | ||||||||||||
| Tissue Locations | Not Available | ||||||||||||
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| Pathways |
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| 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
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| HMDB ID | Not Available | ||||||||||||
| DrugBank ID | Not Available | ||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||
| FooDB ID | Not Available | ||||||||||||
| KNApSAcK ID | C00052478 | ||||||||||||
| 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 | 6451070 | ||||||||||||
| PDB ID | Not Available | ||||||||||||
| ChEBI ID | Not Available | ||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||
| CMMC Knowledgebase | MUZXNENCXNWLKC-SRGKMVLISA-N | ||||||||||||
| General References | |||||||||||||
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