| Common Name |
Neryl rhamnosyl-glucoside
| Description |
Neryl rhamnosyl-glucoside is found in alcoholic beverages. Neryl rhamnosyl-glucoside is isolated from wine grapes (Vitis vinifera) 3,7-Dimethyl-2,6-octadien-1-ol; (E)-form, O-[a-L-Rhamnopyranosyl-(1->6)-b-D-glucopyranoside] belongs to the family of Terpene Glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29349 (Neryl rhamnosyl-glucoside)
| Synonyms |
Not Available
| Chemical Formlia |
C22H38O10
| Average Molecliar Weight |
462.5311
| Monoisotopic Molecliar Weight |
462.246497436
| IUPAC Name |
2-[(6-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol
| Traditional Name |
2-[(6-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol
| CAS Registry Number |
84534-31-6
| SMILES |
CC1OC(OCC2OC(OCC=C(C)CCC=C(C)C)C(O)C(O)C2O)C(O)C(O)C1O
| InChI Identifier |
InChI=1S/C22H38O10/c1-11(2)6-5-7-12(3)8-9-29-21-20(28)18(26)16(24)14(32-21)10-30-22-19(27)17(25)15(23)13(4)31-22/h6,8,13-28H,5,7,9-10H2,1-4H3/b12-8-
| InChI Key |
YZJBMONDZNACEV-WQLSENKSSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Lipids and lipid-like moleclies
| Sub Class |
Prenol lipids
| Direct Parent |
Terpene glycosides
| Alternative Parents |
Fatty acyl glycosides of mono- and disaccharides
Alkyl glycosides
O-glycosyl compounds
Disaccharides
Monocyclic monoterpenoids
Oxanes
Secondary alcohols
Polyols
Oxacyclic compounds
Acetals
Hydrocarbon derivatives
| Substituents |
Terpene glycoside
Fatty acyl glycoside
Fatty acyl glycoside of mono- or disaccharide
Alkyl glycoside
Disaccharide
Glycosyl compound
O-glycosyl compound
Monocyclic monoterpenoid
Monoterpenoid
Fatty acyl
Oxane
Secondary alcohol
Oxacycle
Acetal
Organoheterocyclic compound
Polyol
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Alcohol
Aliphatic heteromonocyclic compound
| Molecliar Framework |
Aliphatic heteromonocyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Cell signaling
Fuel and energy storage
Fuel or energy source
Membrane integrity/stability
| Application |
Nutrient
Stabilizers
Surfactants and Emlisifiers
| Cellliar locations |
Cytoplasm
Extracellliar
Membrane
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility2.87 mg/mLALOGPS
logP0.13ALOGPS
logP0.0076ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)11.92ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area158.3 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity114.46 m3·mol-1ChemAxon
Polarizability49.83 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| Biological Properties |
| Cellliar Locations |
Cytoplasm
Extracellliar
Membrane
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB000415
| KNApSAcK ID |
Not Available
| Chemspider ID |
Not Available
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29349
| Metagene Link |
HMDB29349
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Nanchangmycin
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 7602484
