| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-03-10 17:02:50 UTC |
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| Update Date | 2020-05-11 20:27:45 UTC |
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| BMDB ID | BMDB0096200 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Neomenthol-glucuronide |
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| Description | Neomenthol-glucuronide belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Neomenthol-glucuronide is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| Structure | |
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| Synonyms | | Value | Source |
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| (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}oxane-2-carboxylate | Generator |
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| Chemical Formula | C16H28O7 |
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| Average Molecular Weight | 332.3893 |
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| Monoisotopic Molecular Weight | 332.18350325 |
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| IUPAC Name | (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}oxane-2-carboxylic acid |
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| Traditional Name | (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-isopropyl-5-methylcyclohexyl)oxy]oxane-2-carboxylic acid |
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| CAS Registry Number | Not Available |
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| SMILES | CC(C)C1CCC(C)CC1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |
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| InChI Identifier | InChI=1S/C16H28O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h7-14,16-19H,4-6H2,1-3H3,(H,20,21)/t8?,9?,10?,11-,12-,13+,14-,16+/m0/s1 |
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| InChI Key | CLJGMBYGTHRUNF-SHLVDPONSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Terpene glycosides |
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| Direct Parent | Terpene glycosides |
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| Alternative Parents | |
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| Substituents | - Terpene glycoside
- 1-o-glucuronide
- O-glucuronide
- Glucuronic acid or derivatives
- Glycosyl compound
- O-glycosyl compound
- P-menthane monoterpenoid
- Monocyclic monoterpenoid
- Monoterpenoid
- Beta-hydroxy acid
- Hydroxy acid
- Monosaccharide
- Pyran
- Oxane
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Oxacycle
- Acetal
- Carboxylic acid
- Carboxylic acid derivative
- Polyol
- Organoheterocyclic compound
- Organic oxygen compound
- Alcohol
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Organooxygen compound
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | |
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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 | |
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| Spectra |
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| Spectra | |
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