Record Information |
---|
Version | 1.0 |
---|
Created at | 2020-12-09 04:29:56 UTC |
---|
Updated at | 2021-07-15 16:58:15 UTC |
---|
NP-MRD ID | NP0007682 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Streptophenazine D |
---|
Provided By | NPAtlas |
---|
Description | Streptophenazine D belongs to the class of organic compounds known as phenazines and derivatives. These are polycyclic aromatic compounds containing a phenazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a pyrazine ring. Streptophenazine D is found in Streptomyces sp. It was first documented in 2008 (PMID: 18396903). Based on a literature review very few articles have been published on Streptophenazine D (PMID: 28923323). |
---|
Structure | [H]O[C@@]([H])(C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C(=O)OC([H])([H])[H])C1=C2N=C3C([H])=C([H])C([H])=C(C(=O)OC([H])([H])[H])C3=NC2=C([H])C([H])=C1[H] InChI=1S/C23H26N2O5/c1-13(2)11-12-18(26)19(23(28)30-4)14-7-5-9-16-20(14)24-17-10-6-8-15(21(17)25-16)22(27)29-3/h5-10,13,18-19,26H,11-12H2,1-4H3/t18-,19+/m0/s1 |
---|
Synonyms | Value | Source |
---|
Methyl 6-(3-hydroxy-1-methoxy-6-methyl-1-oxoheptan-2-yl)phenazine-1-carboxylic acid | Generator |
|
---|
Chemical Formula | C23H26N2O5 |
---|
Average Mass | 410.4700 Da |
---|
Monoisotopic Mass | 410.18417 Da |
---|
IUPAC Name | methyl 6-[(2R,3S)-3-hydroxy-1-methoxy-6-methyl-1-oxoheptan-2-yl]phenazine-1-carboxylate |
---|
Traditional Name | methyl 6-[(2R,3S)-3-hydroxy-1-methoxy-6-methyl-1-oxoheptan-2-yl]phenazine-1-carboxylate |
---|
CAS Registry Number | Not Available |
---|
SMILES | COC(=O)C(C(O)CCC(C)C)C1=CC=CC2=NC3=C(C=CC=C3N=C12)C(=O)OC |
---|
InChI Identifier | InChI=1S/C23H26N2O5/c1-13(2)11-12-18(26)19(23(28)30-4)14-7-5-9-16-20(14)24-17-10-6-8-15(21(17)25-16)22(27)29-3/h5-10,13,18-19,26H,11-12H2,1-4H3 |
---|
InChI Key | LKJADGCHDSZYKE-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 | |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as phenazines and derivatives. These are polycyclic aromatic compounds containing a phenazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a pyrazine ring. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organoheterocyclic compounds |
---|
Class | Diazanaphthalenes |
---|
Sub Class | Benzodiazines |
---|
Direct Parent | Phenazines and derivatives |
---|
Alternative Parents | |
---|
Substituents | - Phenazine
- Beta-hydroxy acid
- Fatty acid ester
- Hydroxy acid
- Pyrazine
- Benzenoid
- Fatty acyl
- Methyl ester
- Heteroaromatic compound
- Secondary alcohol
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Azacycle
- Organic nitrogen compound
- Organic oxide
- Organooxygen compound
- Organonitrogen compound
- Alcohol
- Organic oxygen compound
- Carbonyl group
- Hydrocarbon derivative
- Aromatic heteropolycyclic compound
|
---|
Molecular Framework | Aromatic heteropolycyclic 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 | |
---|