Showing metabocard for (2R,4bS,6aS,12bS,12cR)-9-isopentenylpaxilline (MMDBc0009662)
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| Version | 1.0 | |||||||||||||
| Status | Detected and Quantified | |||||||||||||
| Creation Date | 2021-05-15 02:06:32 UTC | |||||||||||||
| Update Date | 2022-08-31 06:30:36 UTC | |||||||||||||
| MiMeDB ID | MMDBc0009662 | |||||||||||||
| Metabolite Identification | ||||||||||||||
| Common Name | (2R,4bS,6aS,12bS,12cR)-9-isopentenylpaxilline | |||||||||||||
| Description | (2R,4bS,6aS,12bS,12cR)-9-isopentenylpaxilline 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 (2R,4bS,6aS,12bS,12cR)-9-isopentenylpaxilline. | |||||||||||||
| Structure |  | |||||||||||||
| Synonyms | Not Available | |||||||||||||
| Chemical Formula | C32H39NO4 | |||||||||||||
| Average Molecular Weight | 501.667 | |||||||||||||
| Monoisotopic Molecular Weight | 501.28790874 | |||||||||||||
| IUPAC Name | Not Available | |||||||||||||
| Traditional Name | Not Available | |||||||||||||
| CAS Registry Number | Not Available | |||||||||||||
| SMILES | Not Available | |||||||||||||
| InChI Identifier | InChI=1S/C32H39NO4/c1-8-28(2,3)18-9-10-23-20(15-18)21-16-19-11-14-32(36)22-17-24(34)27(29(4,5)35)37-25(22)12-13-30(32,6)31(19,7)26(21)33-23/h8-10,12,15,17,19,27,33,35-36H,1,11,13-14,16H2,2-7H3/t19-,27-,30+,31+,32+/m0/s1 | |||||||||||||
| InChI Key | FNTKJPWOQYZZSM-LGTSKZSNSA-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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| Cellular Locations | Not Available | |||||||||||||
| Biospecimen Locations | Not Available | |||||||||||||
| Tissue Locations | 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 | 34981555 | |||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||
| BioCyc ID | Not Available | |||||||||||||
| BiGG ID | Not Available | |||||||||||||
| Wikipedia Link | Not Available | |||||||||||||
| METLIN ID | Not Available | |||||||||||||
| PubChem Compound | 139585644 | |||||||||||||
| 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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