Record Information |
---|
Version | 1.0 |
---|
Created at | 2020-09-23 01:57:08 UTC |
---|
Updated at | 2021-08-10 02:55:22 UTC |
---|
NP-MRD ID | NP0001576 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Mortivinacin B |
---|
Provided By | NPAtlas |
---|
Description | 2,4-Dihydroxy-N-(2-methoxy-2-oxoethyl)-3,5,6-trimethylbenzene-1-carboximidic acid belongs to the class of organic compounds known as hippuric acids and derivatives. Hippuric acids and derivatives are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine. Mortivinacin B is found in Mortierella and Umbelopsis vinacea. It was first documented in 1999 (PMID: 10075797). Based on a literature review very few articles have been published on 2,4-dihydroxy-N-(2-methoxy-2-oxoethyl)-3,5,6-trimethylbenzene-1-carboximidic acid. |
---|
Structure | [H]OC1=C(C(O[H])=C(C(=C1C(=O)N([H])C([H])([H])C(=O)OC([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] InChI=1S/C13H17NO5/c1-6-7(2)11(16)8(3)12(17)10(6)13(18)14-5-9(15)19-4/h16-17H,5H2,1-4H3,(H,14,18) |
---|
Synonyms | Value | Source |
---|
2,4-Dihydroxy-N-(2-methoxy-2-oxoethyl)-3,5,6-trimethylbenzene-1-carboximidate | Generator |
|
---|
Chemical Formula | C13H17NO5 |
---|
Average Mass | 267.2810 Da |
---|
Monoisotopic Mass | 267.11067 Da |
---|
IUPAC Name | methyl 2-[(2,4-dihydroxy-3,5,6-trimethylphenyl)formamido]acetate |
---|
Traditional Name | methyl [(2,4-dihydroxy-3,5,6-trimethylphenyl)formamido]acetate |
---|
CAS Registry Number | Not Available |
---|
SMILES | [H]OC1=C(C(O[H])=C(C(=C1C(=O)N([H])C([H])([H])C(=O)OC([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] |
---|
InChI Identifier | InChI=1S/C13H17NO5/c1-6-7(2)11(16)8(3)12(17)10(6)13(18)14-5-9(15)19-4/h16-17H,5H2,1-4H3,(H,14,18) |
---|
InChI Key | RRKXSAVJYDHUSN-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | |
---|
Species Where Detected | |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as hippuric acids and derivatives. Hippuric acids and derivatives are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine. |
---|
Kingdom | Organic compounds |
---|
Super Class | Benzenoids |
---|
Class | Benzene and substituted derivatives |
---|
Sub Class | Benzoic acids and derivatives |
---|
Direct Parent | Hippuric acids and derivatives |
---|
Alternative Parents | |
---|
Substituents | - Alpha-amino acid ester
- N-acyl-alpha amino acid or derivatives
- Hippuric acid or derivatives
- Alpha-amino acid or derivatives
- Salicylamide
- Salicylic acid or derivatives
- M-cresol
- Benzoyl
- O-cresol
- P-cresol
- Resorcinol
- Phenol
- Vinylogous acid
- Methyl ester
- Carboxylic acid ester
- Carboxamide group
- Secondary carboxylic acid amide
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Organooxygen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Organonitrogen compound
- Organic oxygen compound
- Aromatic homomonocyclic compound
|
---|
Molecular Framework | Aromatic homomonocyclic 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 | |
---|