Showing metabocard for (2R,4bS,6aS,12bS,12cR,14aS)-2'-hydroxypaxilline (MMDBc0007797)
| Record Information | ||||||||||||||
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| Version | 1.0 | |||||||||||||
| Status | Detected and Quantified | |||||||||||||
| Creation Date | 2021-05-15 00:51:28 UTC | |||||||||||||
| Update Date | 2022-08-31 06:27:45 UTC | |||||||||||||
| MiMeDB ID | MMDBc0007797 | |||||||||||||
| Metabolite Identification | ||||||||||||||
| Common Name | (2R,4bS,6aS,12bS,12cR,14aS)-2'-hydroxypaxilline | |||||||||||||
| Description | CHEMBL2408943 belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Based on a literature review very few articles have been published on CHEMBL2408943. | |||||||||||||
| Structure |  | |||||||||||||
| Synonyms | Not Available | |||||||||||||
| Chemical Formula | C27H33NO5 | |||||||||||||
| Average Molecular Weight | 451.563 | |||||||||||||
| Monoisotopic Molecular Weight | 451.235873167 | |||||||||||||
| IUPAC Name | Not Available | |||||||||||||
| Traditional Name | Not Available | |||||||||||||
| CAS Registry Number | Not Available | |||||||||||||
| SMILES | Not Available | |||||||||||||
| InChI Identifier | InChI=1S/C27H33NO5/c1-24(31,14-29)23-20(30)13-18-21(33-23)9-10-25(2)26(3)15(8-11-27(18,25)32)12-17-16-6-4-5-7-19(16)28-22(17)26/h4-7,13,15,21,23,28-29,31-32H,8-12,14H2,1-3H3/t15-,21-,23-,24?,25+,26+,27+/m0/s1 | |||||||||||||
| InChI Key | YCXQGKDLXRHABX-SUWUUCHZSA-N | |||||||||||||
| Chemical Taxonomy | ||||||||||||||
| Description | Belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. | |||||||||||||
| Kingdom | Organic compounds | |||||||||||||
| Super Class | Organoheterocyclic compounds | |||||||||||||
| Class | Naphthopyrans | |||||||||||||
| Sub Class | Not Available | |||||||||||||
| Direct Parent | Naphthopyrans | |||||||||||||
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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 | Expected Solid | |||||||||||||
| Predicted Properties | Not Available | |||||||||||||
| Spectra | ||||||||||||||
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| Biological Properties | ||||||||||||||
| Cellular Locations | Not Available | |||||||||||||
| Biospecimen Locations | Not Available | |||||||||||||
| Tissue Locations | Not Available | |||||||||||||
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Not Available | ||||||||||||||
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| HMDB ID | Not Available | |||||||||||||
| DrugBank ID | Not Available | |||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||
| FooDB ID | Not Available | |||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||
| Chemspider ID | 30771020 | |||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||
| BioCyc ID | Not Available | |||||||||||||
| BiGG ID | Not Available | |||||||||||||
| Wikipedia Link | Not Available | |||||||||||||
| METLIN ID | Not Available | |||||||||||||
| PubChem Compound | 71745338 | |||||||||||||
| PDB ID | Not Available | |||||||||||||
| ChEBI ID | Not Available | |||||||||||||
| Food Biomarker Ontology | Not Available | |||||||||||||
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| Synthesis Reference | Not Available | |||||||||||||
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