Record Information |
---|
Version | 1.0 |
---|
Creation date | 2010-04-08 22:10:35 UTC |
---|
Update date | 2019-11-26 03:08:08 UTC |
---|
Primary ID | FDB013218 |
---|
Secondary Accession Numbers | Not Available |
---|
Chemical Information |
---|
FooDB Name | 2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one |
---|
Description | 2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one belongs to the class of organic compounds known as phenylnaphthalenes. Phenylnaphthalenes are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group. 2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one has been detected, but not quantified in, fruits. This could make 2,3-dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one. |
---|
CAS Number | Not Available |
---|
Structure | |
---|
Synonyms | |
---|
Predicted Properties | |
---|
Chemical Formula | C19H14O3 |
---|
IUPAC name | 2,3-dihydroxy-9-phenyl-2,3-dihydro-1H-phenalen-1-one |
---|
InChI Identifier | InChI=1S/C19H14O3/c20-17-14-8-4-7-12-9-10-13(11-5-2-1-3-6-11)16(15(12)14)18(21)19(17)22/h1-10,17,19-20,22H |
---|
InChI Key | XCXWPSAMZIDDPC-UHFFFAOYSA-N |
---|
Isomeric SMILES | OC1C(O)C2=CC=CC3=C2C(C1=O)=C(C=C3)C1=CC=CC=C1 |
---|
Average Molecular Weight | 290.3127 |
---|
Monoisotopic Molecular Weight | 290.094294314 |
---|
Classification |
---|
Description | Belongs to the class of organic compounds known as phenylnaphthalenes. Phenylnaphthalenes are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group. |
---|
Kingdom | Organic compounds |
---|
Super Class | Benzenoids |
---|
Class | Naphthalenes |
---|
Sub Class | Phenylnaphthalenes |
---|
Direct Parent | Phenylnaphthalenes |
---|
Alternative Parents | |
---|
Substituents | - Phenylnaphthalene
- Phenalane
- Aryl alkyl ketone
- Aryl ketone
- Monocyclic benzene moiety
- Secondary alcohol
- Ketone
- 1,2-diol
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- 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 | 2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-001i-0090000000-e3096c7e3b9388f03d7b | Spectrum | Predicted GC-MS | 2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00dr-9004300000-a876bed08b504f82fb85 | Spectrum | Predicted GC-MS | 2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | 2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one, 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 | splash10-0006-0090000000-59b115d45344c4ed7e50 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01vo-0090000000-e686fdaa1d0469eee7df | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0kur-0090000000-2d3c1047ded1321336d3 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0090000000-5cb8bc2965c0bcd6d7db | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-0090000000-cc97ce1817a228c5ce55 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0fb9-1090000000-7f28e9125128d0c81293 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0090000000-9c70290ef613696ea2ac | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-0090000000-15ae157bffcfd2225a32 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0ue9-0090000000-27287190c51b648eff35 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0090000000-a6c0896d990dc9fdbc51 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00dl-0090000000-dc075360a778f6233920 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-053r-0090000000-5089ca31e784c5116556 | 2021-09-22 | View Spectrum |
|
---|
NMR | Not Available |
---|
External Links |
---|
ChemSpider ID | Not Available |
---|
ChEMBL ID | Not Available |
---|
KEGG Compound ID | Not Available |
---|
Pubchem Compound ID | Not Available |
---|
Pubchem Substance ID | Not Available |
---|
ChEBI ID | Not Available |
---|
Phenol-Explorer ID | Not Available |
---|
DrugBank ID | Not Available |
---|
HMDB ID | HMDB34688 |
---|
CRC / DFC (Dictionary of Food Compounds) ID | KGQ97-D:HPR26-Q |
---|
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 | |
---|