| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:04:57 UTC |
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| Update date | 2019-11-26 02:56:26 UTC |
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| Primary ID | FDB001400 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Dihydrozeatin |
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| Description | Dihydrozeatin belongs to the class of organic compounds known as 6-alkylaminopurines. 6-alkylaminopurines are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. Dihydrozeatin is a strong basic compound (based on its pKa). Dihydrozeatin has been detected, but not quantified in, several different foods, such as quinoa, other soy products, oyster mushrooms, japanese pumpkins, and common oregano. This could make dihydrozeatin a potential biomarker for the consumption of these foods. |
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| CAS Number | 23599-75-9 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Not Available | Not Available |
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| Predicted Properties | |
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| Chemical Formula | C10H15N5O |
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| IUPAC name | 2-methyl-4-[(3H-purin-6-yl)amino]butan-1-ol |
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| InChI Identifier | InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15) |
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| InChI Key | XXFACTAYGKKOQB-UHFFFAOYSA-N |
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| Isomeric SMILES | CC(CO)CCNC1=NC=NC2=C1NC=N2 |
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| Average Molecular Weight | 221.259 |
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| Monoisotopic Molecular Weight | 221.127660127 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as 6-alkylaminopurines. 6-Alkylaminopurines are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Imidazopyrimidines |
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| Sub Class | Purines and purine derivatives |
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| Direct Parent | 6-alkylaminopurines |
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| Alternative Parents | |
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| Substituents | - 6-alkylaminopurine
- Aminopyrimidine
- Secondary aliphatic/aromatic amine
- Pyrimidine
- Imidolactam
- Azole
- Imidazole
- Heteroaromatic compound
- Secondary amine
- Azacycle
- Organopnictogen compound
- Organic oxygen compound
- Primary alcohol
- Organooxygen compound
- Organonitrogen compound
- Amine
- Alcohol
- Hydrocarbon derivative
- Organic nitrogen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Ontology | No ontology term |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
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| Physical state | Solid | |
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| Physical Description | Not Available | |
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| Mass Composition | Not Available | |
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| Melting Point | Not Available | |
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| Boiling Point | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Experimental logP | Not Available | |
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| Experimental pKa | Not Available | |
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| Isoelectric point | Not Available | |
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| Charge | Not Available | |
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| Optical Rotation | Not Available | |
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| Spectroscopic UV Data | Not Available | |
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| Density | Not Available | |
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| Refractive Index | Not Available | |
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| Spectra |
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| Spectra | |
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| EI-MS/GC-MS | Not Available |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0fk9-1290000000-f8d6b394f6cd7e52eabe | 2015-05-27 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0fri-8950000000-c270671e42a1b1939eb0 | 2015-05-27 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0670-9500000000-9a61b0e0cb035d07c134 | 2015-05-27 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0390000000-a80a09f6b08943c9a5a7 | 2015-05-27 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0089-3940000000-e1cb1661139b51dc4dfe | 2015-05-27 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-05o0-3900000000-e0881ea9e8cc08324ddc | 2015-05-27 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | 388705 |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | C02029 |
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| Pubchem Compound ID | 439631 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | 17874 |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB12215 |
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| CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | DIHYDROZEATIN |
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| BIGG ID | Not Available |
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| KNApSAcK ID | C00000093 |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Not Available |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | | Descriptor | ID | Definition | Reference |
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| phytohormonal | 26158 | A plant growth regulator that modulates the formation of stems, leaves and flowers, as well as the development and ripening of fruit. The term includes endogenous and non-endogenous compounds (e.g. active compounds produced by bacteria on the leaf surface) as well as semi-synthetic and fully synthetic compounds. | DUKE |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | — Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.
— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
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