Showing metabocard for (2R,4bS,6aS,12bS,12cR,14aS)-9,10-diisopentenylpaxilline (MMDBc0009969)
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| Version | 1.0 | |||||||||||||
| Status | Detected and Quantified | |||||||||||||
| Creation Date | 2021-05-15 02:18:59 UTC | |||||||||||||
| Update Date | 2022-08-31 06:30:59 UTC | |||||||||||||
| MiMeDB ID | MMDBc0009969 | |||||||||||||
| Metabolite Identification | ||||||||||||||
| Common Name | (2R,4bS,6aS,12bS,12cR,14aS)-9,10-diisopentenylpaxilline | |||||||||||||
| Description | 21,22-Diprenylpaxilline 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. 21,22-Diprenylpaxilline is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review very few articles have been published on 21,22-Diprenylpaxilline. | |||||||||||||
| Structure |  | |||||||||||||
| Synonyms | Not Available | |||||||||||||
| Chemical Formula | C37H49NO4 | |||||||||||||
| Average Molecular Weight | 571.802 | |||||||||||||
| Monoisotopic Molecular Weight | 571.366159062 | |||||||||||||
| IUPAC Name | Not Available | |||||||||||||
| Traditional Name | Not Available | |||||||||||||
| CAS Registry Number | Not Available | |||||||||||||
| SMILES | Not Available | |||||||||||||
| InChI Identifier | InChI=1S/C37H49NO4/c1-21(2)9-11-23-17-26-27-19-25-13-16-37(41)28-20-30(39)33(34(5,6)40)42-31(28)14-15-35(37,7)36(25,8)32(27)38-29(26)18-24(23)12-10-22(3)4/h9-10,17-18,20,25,31,33,38,40-41H,11-16,19H2,1-8H3/t25-,31-,33-,35+,36+,37+/m0/s1 | |||||||||||||
| InChI Key | YMPSZJNRZBHLRI-OGYDQXLWSA-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 | 30771021 | |||||||||||||
| KEGG Compound ID | C20561 | |||||||||||||
| BioCyc ID | Not Available | |||||||||||||
| BiGG ID | Not Available | |||||||||||||
| Wikipedia Link | Not Available | |||||||||||||
| METLIN ID | Not Available | |||||||||||||
| PubChem Compound | 71745339 | |||||||||||||
| PDB ID | Not Available | |||||||||||||
| ChEBI ID | 181405 | |||||||||||||
| Food Biomarker Ontology | Not Available | |||||||||||||
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| Synthesis Reference | Not Available | |||||||||||||
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