Record Information |
---|
Version | 1.0 |
---|
Creation date | 2010-04-08 22:09:15 UTC |
---|
Update date | 2019-11-26 03:03:59 UTC |
---|
Primary ID | FDB010688 |
---|
Secondary Accession Numbers | Not Available |
---|
Chemical Information |
---|
FooDB Name | 4-Methoxy-1-naphthol |
---|
Description | 4-Methoxy-1-naphthol belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position. 4-Methoxy-1-naphthol has been detected, but not quantified in, several different foods, such as black tea, herbs and spices, green tea, herbal tea, and teas (Camellia sinensis). This could make 4-methoxy-1-naphthol a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 4-Methoxy-1-naphthol. |
---|
CAS Number | 84-85-5 |
---|
Structure | |
---|
Synonyms | |
---|
Predicted Properties | |
---|
Chemical Formula | C11H10O2 |
---|
IUPAC name | 4-methoxynaphthalen-1-ol |
---|
InChI Identifier | InChI=1S/C11H10O2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,12H,1H3 |
---|
InChI Key | BOTGCZBEERTTDQ-UHFFFAOYSA-N |
---|
Isomeric SMILES | COC1=CC=C(O)C2=CC=CC=C12 |
---|
Average Molecular Weight | 174.1959 |
---|
Monoisotopic Molecular Weight | 174.068079564 |
---|
Classification |
---|
Description | Belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position. |
---|
Kingdom | Organic compounds |
---|
Super Class | Benzenoids |
---|
Class | Naphthalenes |
---|
Sub Class | Naphthols and derivatives |
---|
Direct Parent | Naphthols and derivatives |
---|
Alternative Parents | |
---|
Substituents | - 1-naphthol
- Anisole
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Ether
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic homopolycyclic compound
|
---|
Molecular Framework | Aromatic homopolycyclic compounds |
---|
External Descriptors | Not Available |
---|
Ontology |
---|
|
Disposition | Route of exposure: Biological location: Source: |
---|
Role | Biological role: |
---|
Physico-Chemical Properties |
---|
Physico-Chemical Properties - Experimental | |
---|
Spectra |
---|
Spectra | |
---|
EI-MS/GC-MS | Type | Description | Splash Key | View |
---|
Predicted GC-MS | 4-Methoxy-1-naphthol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-05gj-0900000000-178b27dbddb6e5dd8129 | Spectrum | Predicted GC-MS | 4-Methoxy-1-naphthol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00ea-8690000000-73dbe3159027945c60b2 | Spectrum | Predicted GC-MS | 4-Methoxy-1-naphthol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
|
---|
MS/MS | Type | Description | Splash Key | View |
---|
Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0900000000-8e8804799e948cea1c89 | 2016-08-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-0900000000-5813807f93e64c20eae9 | 2016-08-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-1900000000-9642fe3c3aca61062c38 | 2016-08-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0900000000-f6059594b0bbc31efd64 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-0900000000-d251b5279f1a96bad027 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-0900000000-7c8693f5a0be6f1af784 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0900000000-105c765dae0f39803f2c | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-0900000000-105c765dae0f39803f2c | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-004i-9700000000-36a813f846b0813551cb | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0900000000-9ecebaf6708c76939328 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-0900000000-e006a7504db8a2eeaa43 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a6r-3900000000-f45797b4c6504e5f4cbe | 2021-09-25 | View Spectrum |
|
---|
NMR | Not Available |
---|
External Links |
---|
ChemSpider ID | 59913 |
---|
ChEMBL ID | Not Available |
---|
KEGG Compound ID | Not Available |
---|
Pubchem Compound ID | 66542 |
---|
Pubchem Substance ID | Not Available |
---|
ChEBI ID | Not Available |
---|
Phenol-Explorer ID | Not Available |
---|
DrugBank ID | Not Available |
---|
HMDB ID | HMDB32727 |
---|
CRC / DFC (Dictionary of Food Compounds) ID | FNR16-D:FNR19-G |
---|
EAFUS ID | Not Available |
---|
Dr. Duke ID | Not Available |
---|
BIGG ID | Not Available |
---|
KNApSAcK ID | Not Available |
---|
HET ID | Not Available |
---|
Food Biomarker Ontology | Not Available |
---|
VMH ID | Not Available |
---|
Flavornet ID | Not Available |
---|
GoodScent ID | Not Available |
---|
SuperScent ID | Not Available |
---|
Wikipedia ID | Not Available |
---|
Phenol-Explorer Metabolite ID | Not Available |
---|
Duplicate IDS | Not Available |
---|
Old DFC IDS | Not Available |
---|
Associated Foods |
---|
|
Biological Effects and Interactions |
---|
Health Effects / Bioactivities | Not Available |
---|
Enzymes | Not Available |
---|
Pathways | Not Available |
---|
Metabolism | Not Available |
---|
Biosynthesis | Not Available |
---|
Organoleptic Properties |
---|
Flavours | Not Available |
---|
Files |
---|
MSDS | Not Available |
---|
References |
---|
Synthesis Reference | Not Available |
---|
General Reference | Not Available |
---|
Content Reference | |
---|