Showing metabocard for (2R,4bS,6aS,12bS,12cR,14aS)-9,10-diisopentenylpaxilline (MMDBc0009969)
Record Information | ||||||||||||||
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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 | |||||||||||||
Alternative Parents | ||||||||||||||
Substituents |
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Molecular Framework | Aromatic heteropolycyclic compounds | |||||||||||||
External Descriptors | Not Available | |||||||||||||
Functional Ontology | ||||||||||||||
Not Available | ||||||||||||||
Physical Properties | ||||||||||||||
State | Expected Solid | |||||||||||||
Predicted Properties | Not Available | |||||||||||||
Spectra | ||||||||||||||
Not Available | ||||||||||||||
Biological Properties | ||||||||||||||
Cellular Locations | Not Available | |||||||||||||
Biospecimen Locations | Not Available | |||||||||||||
Tissue Locations | Not Available | |||||||||||||
Associated OMIM IDs | ||||||||||||||
Human Proteins and Enzymes | ||||||||||||||
Proteins | ||||||||||||||
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Pathways |
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Metabolic Reactions | ||||||||||||||
Not Available | ||||||||||||||
Health Effects and Bioactivity | ||||||||||||||
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Microbial Sources |
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Exposure Sources | ||||||||||||||
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Host Biospecimen and Location | ||||||||||||||
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External Links | ||||||||||||||
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 | |||||||||||||
References | ||||||||||||||
Synthesis Reference | Not Available | |||||||||||||
General References |
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