Showing metabocard for Secalonic acid D (MMDBc0060813)
Microbial
| Record Information | |||||||||||||
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| Version | 2.0 | ||||||||||||
| Status | Detected and Quantified | ||||||||||||
| Creation Date | 2025-10-02 23:29:21 UTC | ||||||||||||
| Update Date | 2025-10-08 21:35:23 UTC | ||||||||||||
| Metabolite ID | MMDBc0060813 | ||||||||||||
| Metabolite Identification | |||||||||||||
| Common Name | Secalonic acid D | ||||||||||||
| Description | Secalonic acid D is a dimeric tetrahydroxanthone, a class of compounds known for their diverse biological activities. Its chemical structure features a complex arrangement of hydroxyl groups and aromatic rings, contributing to its reactivity and potential therapeutic properties. Secalonic acid D has been isolated from various fungal sources, demonstrating significant cytotoxic activity against cancer cell lines such as Hep-G2, Caco-2, Bel-7402, and HCT-116, with IC50 values indicating potent effects (PMID:39545166 , PMID:37275544 ). Additionally, it exhibits antimicrobial properties against multiple strains of bacteria (PMID:37275544 ). The compound's isolation and structural determination have been achieved through advanced techniques like mass spectrometry and nuclear magnetic resonance spectroscopy (PMID:37466533 ). Secalonic acid D is involved in various biochemical pathways, potentially influencing cellular signaling and metabolic processes due to its interaction with cellular components. Its promising cytotoxic and antimicrobial activities highlight its potential as a lead compound for further pharmacological exploration, particularly in the context of cancer and infectious diseases (PMID:36922969 ). | ||||||||||||
| Structure |  | ||||||||||||
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| Molecular Formula | C32H30O14 | ||||||||||||
| Average Mass | 638.578 | ||||||||||||
| Monoisotopic Mass | 638.163555646 | ||||||||||||
| IUPAC Name | Not Available | ||||||||||||
| Traditional Name | Not Available | ||||||||||||
| CAS Registry Number | Not Available | ||||||||||||
| SMILES | Not Available | ||||||||||||
| InChI Identifier | Not Available | ||||||||||||
| InChI Key | NFZJAYYORNVZNI-OCHURCMPSA-N | ||||||||||||
| Chemical Taxonomy | |||||||||||||
| Description | Belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. | ||||||||||||
| Kingdom | Organic compounds | ||||||||||||
| Super Class | Organoheterocyclic compounds | ||||||||||||
| Class | Benzopyrans | ||||||||||||
| Sub Class | 1-benzopyrans | ||||||||||||
| Direct Parent | Xanthenes | ||||||||||||
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| Substituents |
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| Molecular Framework | Aromatic heteropolycyclic compounds | ||||||||||||
| External Descriptors | Not Available | ||||||||||||
| Functional Ontology | |||||||||||||
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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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| Microbial Pathways | |||||||||||||
| Pathways | Not Available | ||||||||||||
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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 | C00048115 | ||||||||||||
| 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 | 73431 | ||||||||||||
| PDB ID | Not Available | ||||||||||||
| ChEBI ID | 144225 | ||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||
| CMMC Knowledgebase | NFZJAYYORNVZNI-OCHURCMPSA-N | ||||||||||||
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