Record Information |
---|
Version | 5.0 |
---|
Status | Expected but not Quantified |
---|
Creation Date | 2012-09-11 20:27:38 UTC |
---|
Update Date | 2022-03-07 02:54:31 UTC |
---|
HMDB ID | HMDB0035467 |
---|
Secondary Accession Numbers | |
---|
Metabolite Identification |
---|
Common Name | Glicophenone |
---|
Description | Glicophenone belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Glicophenone has been detected, but not quantified in, herbs and spices. This could make glicophenone a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Glicophenone. |
---|
Structure | COC1=C(CC=C(C)C)C(O)=CC(O)=C1CC(=O)C1=C(O)C=C(O)C=C1 InChI=1S/C20H22O6/c1-11(2)4-6-14-18(24)10-19(25)15(20(14)26-3)9-17(23)13-7-5-12(21)8-16(13)22/h4-5,7-8,10,21-22,24-25H,6,9H2,1-3H3 |
---|
Synonyms | Value | Source |
---|
Glicophenone | MeSH |
|
---|
Chemical Formula | C20H22O6 |
---|
Average Molecular Weight | 358.3851 |
---|
Monoisotopic Molecular Weight | 358.141638436 |
---|
IUPAC Name | 2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-1-(2,4-dihydroxyphenyl)ethan-1-one |
---|
Traditional Name | 2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-1-(2,4-dihydroxyphenyl)ethanone |
---|
CAS Registry Number | Not Available |
---|
SMILES | COC1=C(CC=C(C)C)C(O)=CC(O)=C1CC(=O)C1=C(O)C=C(O)C=C1 |
---|
InChI Identifier | InChI=1S/C20H22O6/c1-11(2)4-6-14-18(24)10-19(25)15(20(14)26-3)9-17(23)13-7-5-12(21)8-16(13)22/h4-5,7-8,10,21-22,24-25H,6,9H2,1-3H3 |
---|
InChI Key | JYRFVDHHGPHQBG-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. |
---|
Kingdom | Organic compounds |
---|
Super Class | Phenylpropanoids and polyketides |
---|
Class | Stilbenes |
---|
Sub Class | Not Available |
---|
Direct Parent | Stilbenes |
---|
Alternative Parents | |
---|
Substituents | - Stilbene
- Alkyl-phenylketone
- Methoxyphenol
- Phenylketone
- Phenoxy compound
- Anisole
- Benzoyl
- Methoxybenzene
- Aryl alkyl ketone
- Aryl ketone
- Phenol ether
- Resorcinol
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Phenol
- Monocyclic benzene moiety
- Benzenoid
- Vinylogous acid
- Ketone
- Ether
- Hydrocarbon derivative
- Organic oxygen compound
- Organooxygen compound
- Organic oxide
- Aromatic homomonocyclic compound
|
---|
Molecular Framework | Aromatic homomonocyclic compounds |
---|
External Descriptors | Not Available |
---|
Ontology |
---|
Physiological effect | Not Available |
---|
Disposition | |
---|
Process | Not Available |
---|
Role | |
---|
Physical Properties |
---|
State | Solid |
---|
Experimental Molecular Properties | Property | Value | Reference |
---|
Melting Point | 145 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Experimental Chromatographic Properties | Not Available |
---|
Predicted Molecular Properties | | Show more...
---|
Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
---|
Glicophenone,1TMS,isomer #1 | COC1=C(CC(=O)C2=CC=C(O)C=C2O)C(O)=CC(O[Si](C)(C)C)=C1CC=C(C)C | 3100.8 | Semi standard non polar | 33892256 | Glicophenone,1TMS,isomer #2 | COC1=C(CC=C(C)C)C(O)=CC(O[Si](C)(C)C)=C1CC(=O)C1=CC=C(O)C=C1O | 3124.3 | Semi standard non polar | 33892256 | Glicophenone,1TMS,isomer #3 | COC1=C(CC=C(C)C)C(O)=CC(O)=C1CC(=O)C1=CC=C(O)C=C1O[Si](C)(C)C | 3174.6 | Semi standard non polar | 33892256 | Glicophenone,1TMS,isomer #4 | COC1=C(CC=C(C)C)C(O)=CC(O)=C1CC(=O)C1=CC=C(O[Si](C)(C)C)C=C1O | 3144.5 | Semi standard non polar | 33892256 | Glicophenone,2TMS,isomer #1 | COC1=C(CC(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(O)=CC(O[Si](C)(C)C)=C1CC=C(C)C | 2994.2 | Semi standard non polar | 33892256 | Glicophenone,2TMS,isomer #2 | COC1=C(CC(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C1CC=C(C)C | 3053.6 | Semi standard non polar | 33892256 | Glicophenone,2TMS,isomer #3 | COC1=C(CC=C(C)C)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1CC(=O)C1=CC=C(O)C=C1O | 2978.2 | Semi standard non polar | 33892256 | Glicophenone,2TMS,isomer #4 | COC1=C(CC=C(C)C)C(O)=CC(O[Si](C)(C)C)=C1CC(=O)C1=CC=C(O[Si](C)(C)C)C=C1O | 3010.9 | Semi standard non polar | 33892256 | Glicophenone,2TMS,isomer #5 | COC1=C(CC=C(C)C)C(O)=CC(O[Si](C)(C)C)=C1CC(=O)C1=CC=C(O)C=C1O[Si](C)(C)C | 3069.3 | Semi standard non polar | 33892256 | Glicophenone,2TMS,isomer #6 | COC1=C(CC=C(C)C)C(O)=CC(O)=C1CC(=O)C1=CC=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C | 3064.2 | Semi standard non polar | 33892256 | Glicophenone,3TMS,isomer #1 | COC1=C(CC(=O)C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C1CC=C(C)C | 2980.7 | Semi standard non polar | 33892256 | Glicophenone,3TMS,isomer #2 | COC1=C(CC=C(C)C)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1CC(=O)C1=CC=C(O[Si](C)(C)C)C=C1O | 2984.1 | Semi standard non polar | 33892256 | Glicophenone,3TMS,isomer #3 | COC1=C(CC=C(C)C)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1CC(=O)C1=CC=C(O)C=C1O[Si](C)(C)C | 2969.5 | Semi standard non polar | 33892256 | Glicophenone,3TMS,isomer #4 | COC1=C(CC=C(C)C)C(O)=CC(O[Si](C)(C)C)=C1CC(=O)C1=CC=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C | 2990.3 | Semi standard non polar | 33892256 | Glicophenone,4TMS,isomer #1 | COC1=C(CC=C(C)C)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1CC(=O)C1=CC=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C | 3013.3 | Semi standard non polar | 33892256 | Glicophenone,1TBDMS,isomer #1 | COC1=C(CC(=O)C2=CC=C(O)C=C2O)C(O)=CC(O[Si](C)(C)C(C)(C)C)=C1CC=C(C)C | 3380.9 | Semi standard non polar | 33892256 | Glicophenone,1TBDMS,isomer #2 | COC1=C(CC=C(C)C)C(O)=CC(O[Si](C)(C)C(C)(C)C)=C1CC(=O)C1=CC=C(O)C=C1O | 3404.6 | Semi standard non polar | 33892256 | Glicophenone,1TBDMS,isomer #3 | COC1=C(CC=C(C)C)C(O)=CC(O)=C1CC(=O)C1=CC=C(O)C=C1O[Si](C)(C)C(C)(C)C | 3450.7 | Semi standard non polar | 33892256 | Glicophenone,1TBDMS,isomer #4 | COC1=C(CC=C(C)C)C(O)=CC(O)=C1CC(=O)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1O | 3430.6 | Semi standard non polar | 33892256 | Glicophenone,2TBDMS,isomer #1 | COC1=C(CC(=O)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O)C(O)=CC(O[Si](C)(C)C(C)(C)C)=C1CC=C(C)C | 3524.4 | Semi standard non polar | 33892256 | Glicophenone,2TBDMS,isomer #2 | COC1=C(CC(=O)C2=CC=C(O)C=C2O[Si](C)(C)C(C)(C)C)C(O)=CC(O[Si](C)(C)C(C)(C)C)=C1CC=C(C)C | 3567.0 | Semi standard non polar | 33892256 | Glicophenone,2TBDMS,isomer #3 | COC1=C(CC=C(C)C)C(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1CC(=O)C1=CC=C(O)C=C1O | 3488.0 | Semi standard non polar | 33892256 | Glicophenone,2TBDMS,isomer #4 | COC1=C(CC=C(C)C)C(O)=CC(O[Si](C)(C)C(C)(C)C)=C1CC(=O)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1O | 3548.3 | Semi standard non polar | 33892256 | Glicophenone,2TBDMS,isomer #5 | COC1=C(CC=C(C)C)C(O)=CC(O[Si](C)(C)C(C)(C)C)=C1CC(=O)C1=CC=C(O)C=C1O[Si](C)(C)C(C)(C)C | 3586.3 | Semi standard non polar | 33892256 | Glicophenone,2TBDMS,isomer #6 | COC1=C(CC=C(C)C)C(O)=CC(O)=C1CC(=O)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C | 3595.0 | Semi standard non polar | 33892256 | Glicophenone,3TBDMS,isomer #1 | COC1=C(CC(=O)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O[Si](C)(C)C(C)(C)C)C(O)=CC(O[Si](C)(C)C(C)(C)C)=C1CC=C(C)C | 3668.8 | Semi standard non polar | 33892256 | Glicophenone,3TBDMS,isomer #2 | COC1=C(CC=C(C)C)C(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1CC(=O)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1O | 3669.8 | Semi standard non polar | 33892256 | Glicophenone,3TBDMS,isomer #3 | COC1=C(CC=C(C)C)C(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1CC(=O)C1=CC=C(O)C=C1O[Si](C)(C)C(C)(C)C | 3650.5 | Semi standard non polar | 33892256 | Glicophenone,3TBDMS,isomer #4 | COC1=C(CC=C(C)C)C(O)=CC(O[Si](C)(C)C(C)(C)C)=C1CC(=O)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C | 3682.4 | Semi standard non polar | 33892256 | Glicophenone,4TBDMS,isomer #1 | COC1=C(CC=C(C)C)C(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1CC(=O)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C | 3833.6 | Semi standard non polar | 33892256 |
| Show more...
---|