Record Information |
---|
Version | 1.0 |
---|
Creation date | 2010-04-08 22:09:43 UTC |
---|
Update date | 2019-11-26 03:05:05 UTC |
---|
Primary ID | FDB011577 |
---|
Secondary Accession Numbers | Not Available |
---|
Chemical Information |
---|
FooDB Name | 20-Hydroxyrutacridone epoxide |
---|
Description | 20-Hydroxyrutacridone epoxide belongs to the class of organic compounds known as acridones. These are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety. 20-Hydroxyrutacridone epoxide has been detected, but not quantified in, herbs and spices. This could make 20-hydroxyrutacridone epoxide a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 20-Hydroxyrutacridone epoxide. |
---|
CAS Number | 80565-10-2 |
---|
Structure | |
---|
Synonyms | |
---|
Predicted Properties | |
---|
Chemical Formula | C19H17NO5 |
---|
IUPAC name | 5-hydroxy-2-[2-(hydroxymethyl)oxiran-2-yl]-11-methyl-1H,2H,6H,11H-furo[2,3-c]acridin-6-one |
---|
InChI Identifier | InChI=1S/C19H17NO5/c1-20-12-5-3-2-4-10(12)18(23)16-13(22)7-14-11(17(16)20)6-15(25-14)19(8-21)9-24-19/h2-5,7,15,21-22H,6,8-9H2,1H3 |
---|
InChI Key | OJJHKXKXZMBCHJ-UHFFFAOYSA-N |
---|
Isomeric SMILES | CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC(C1)C1(CO)CO1)C=C2O |
---|
Average Molecular Weight | 339.342 |
---|
Monoisotopic Molecular Weight | 339.110672659 |
---|
Classification |
---|
Description | Belongs to the class of organic compounds known as acridones. These are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organoheterocyclic compounds |
---|
Class | Quinolines and derivatives |
---|
Sub Class | Benzoquinolines |
---|
Direct Parent | Acridones |
---|
Alternative Parents | |
---|
Substituents | - Acridone
- Dihydroquinolone
- Dihydroquinoline
- Coumaran
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Pyridine
- Benzenoid
- Heteroaromatic compound
- Vinylogous acid
- Vinylogous amide
- Dialkyl ether
- Oxirane
- Ether
- Oxacycle
- Azacycle
- Organonitrogen compound
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Alcohol
- Organooxygen compound
- Primary alcohol
- Hydrocarbon derivative
- Organic nitrogen compound
- Aromatic heteropolycyclic compound
|
---|
Molecular Framework | Aromatic heteropolycyclic compounds |
---|
External Descriptors | Not Available |
---|
Ontology |
---|
|
Disposition | Route of exposure: Source: Biological location: |
---|
Role | Biological role: |
---|
Physico-Chemical Properties |
---|
Physico-Chemical Properties - Experimental | |
---|
Spectra |
---|
Spectra | |
---|
EI-MS/GC-MS | Type | Description | Splash Key | View |
---|
Predicted GC-MS | 20-Hydroxyrutacridone epoxide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0ab9-2329000000-bc73c7defdf6f7f7af9a | Spectrum | Predicted GC-MS | 20-Hydroxyrutacridone epoxide, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0fr2-2902700000-dd64ed600f716bf8c41d | Spectrum | Predicted GC-MS | 20-Hydroxyrutacridone epoxide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | 20-Hydroxyrutacridone epoxide, 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 | splash10-0006-1039000000-9a821b864a263b08b5d8 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0fkc-0159000000-59eafc5035eee0078eae | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0udi-2090000000-4ee2702278340a42f55e | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-1019000000-fabf9dcd5cebdc36de83 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-059i-1049000000-185cb91102c431f8443b | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-006x-9070000000-f5f863460552ab7c85c3 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0009000000-44ba58366199301e50a3 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-05g0-7029000000-03de77b01efa9c71032f | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4u-0094000000-7b7ad09876a27df08a7c | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0009000000-ad69679611f6ad4c80b6 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-0009000000-fbcc080662fe53ec92d3 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00r6-0069000000-804782f554b610f442bb | 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 | HMDB33521 |
---|
CRC / DFC (Dictionary of Food Compounds) ID | HCR16-A:GQX32-P |
---|
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 | |
---|