| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-04 18:45:04 UTC |
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| Updated at | 2022-09-04 18:45:05 UTC |
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| NP-MRD ID | NP0200003 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(1z)-5-methanesulfinyl-1-(sulfoimino)pent-4-en-1-yl]sulfanyl}oxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate |
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| Description | 6-Sinapoylglucoraphenin belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. 6-Sinapoylglucoraphenin is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(1z)-5-methanesulfinyl-1-(sulfoimino)pent-4-en-1-yl]sulfanyl}oxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate is found in Arabidopsis thaliana. Based on a literature review very few articles have been published on 6-sinapoylglucoraphenin. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 6-(Transsinapoyl)glucoraphenin | ChEBI |
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| Chemical Formula | C23H31NO13S3 |
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| Average Mass | 625.6800 Da |
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| Monoisotopic Mass | 625.09575 Da |
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| IUPAC Name | Not Available |
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| Traditional Name | Not Available |
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| CAS Registry Number | Not Available |
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| SMILES | Not Available |
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| InChI Identifier | Not Available |
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| InChI Key | ZNEJWXHAVJTYSO-RUSIJVCESA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. |
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| Kingdom | Organic compounds |
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| Super Class | Phenylpropanoids and polyketides |
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| Class | Cinnamic acids and derivatives |
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| Sub Class | Hydroxycinnamic acids and derivatives |
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| Direct Parent | Coumaric acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Cinnamic acid ester
- Coumaric acid or derivatives
- S-glycosyl compound
- Glycosyl compound
- M-dimethoxybenzene
- Dimethoxybenzene
- Methoxyphenol
- Phenoxy compound
- Methoxybenzene
- Styrene
- Phenol ether
- Anisole
- Phenol
- Fatty acid ester
- Alkyl aryl ether
- Fatty acyl
- Benzenoid
- Oxane
- Monosaccharide
- Monocyclic benzene moiety
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Organic sulfuric acid or derivatives
- Monothioacetal
- Sulfoxide
- Secondary alcohol
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Sulfenyl compound
- Sulfinyl compound
- Polyol
- Monocarboxylic acid or derivatives
- Ether
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organosulfur compound
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Alcohol
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | Not Available |
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