Record Information |
---|
Version | 1.0 |
---|
Created at | 2022-09-09 18:20:09 UTC |
---|
Updated at | 2022-09-09 18:20:09 UTC |
---|
NP-MRD ID | NP0288576 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | methyl 2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(3-hydroxyprop-1-en-2-yl)oxolane-2-carboxylate |
---|
Description | Methyl 2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(3-hydroxyprop-1-en-2-yl)oxolane-2-carboxylate belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. methyl 2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(3-hydroxyprop-1-en-2-yl)oxolane-2-carboxylate is found in Ganoderma applanatum. Based on a literature review very few articles have been published on methyl 2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(3-hydroxyprop-1-en-2-yl)oxolane-2-carboxylate. |
---|
Structure | COC(=O)C1(CC(=O)C2=CC(O)=CC=C2O)CCC(O1)C(=C)CO InChI=1S/C17H20O7/c1-10(9-18)15-5-6-17(24-15,16(22)23-2)8-14(21)12-7-11(19)3-4-13(12)20/h3-4,7,15,18-20H,1,5-6,8-9H2,2H3 |
---|
Synonyms | Value | Source |
---|
Methyl 2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(3-hydroxyprop-1-en-2-yl)oxolane-2-carboxylic acid | Generator |
|
---|
Chemical Formula | C17H20O7 |
---|
Average Mass | 336.3400 Da |
---|
Monoisotopic Mass | 336.12090 Da |
---|
IUPAC Name | Not Available |
---|
Traditional Name | Not Available |
---|
CAS Registry Number | Not Available |
---|
SMILES | COC(=O)C1(CC(=O)C2=CC(O)=CC=C2O)CCC(O1)C(=C)CO |
---|
InChI Identifier | InChI=1S/C17H20O7/c1-10(9-18)15-5-6-17(24-15,16(22)23-2)8-14(21)12-7-11(19)3-4-13(12)20/h3-4,7,15,18-20H,1,5-6,8-9H2,2H3 |
---|
InChI Key | NNWFNIAYBDEVTF-UHFFFAOYSA-N |
---|
Experimental Spectra |
---|
|
| Not Available | Predicted Spectra |
---|
|
| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic oxygen compounds |
---|
Class | Organooxygen compounds |
---|
Sub Class | Carbonyl compounds |
---|
Direct Parent | Alkyl-phenylketones |
---|
Alternative Parents | |
---|
Substituents | - Alkyl-phenylketone
- Prenylbenzoquinol
- Butyrophenone
- Aryl alkyl ketone
- Hydroquinone
- Gamma-keto acid
- Benzoyl
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Fatty acid ester
- Fatty acyl
- Benzenoid
- Keto acid
- Monocyclic benzene moiety
- Vinylogous acid
- Methyl ester
- Tetrahydrofuran
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Ether
- Dialkyl ether
- Carboxylic acid derivative
- Organic oxide
- Hydrocarbon derivative
- Primary alcohol
- Alcohol
- Aromatic heteromonocyclic compound
|
---|
Molecular Framework | Aromatic heteromonocyclic compounds |
---|
External Descriptors | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | |
---|