| Record Information |
|---|
| Version | 2.0 |
|---|
| Created at | 2024-03-21 17:32:58 UTC |
|---|
| Updated at | 2025-12-21 21:41:03 UTC |
|---|
| NP-MRD ID | NP0332707 |
|---|
| Natural Product DOI | https://doi.org/10.57994/1967 |
|---|
| Secondary Accession Numbers | None |
|---|
| Natural Product Identification |
|---|
| Common Name | phenazinolin D |
|---|
| Description | Phenazinolin 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. phenazinolin D was first documented in 2023 (PMID: 37463274). Based on a literature review a small amount of articles have been published on phenazinolin D (PMID: 38517947) (PMID: 36640042). |
|---|
| Structure | O[C@H]1[C@@H]2CC3=NC4=C(N=C3[C@@H]1OC1=CC(C(O)=O)=C3N=C5C=CC=C(O)C5=NC3=C21)C(O)=CC=C4 InChI=1S/C25H16N4O6/c30-14-5-1-3-11-19(14)28-21-13(26-11)7-9-17-16(35-24(21)23(9)32)8-10(25(33)34)18-22(17)29-20-12(27-18)4-2-6-15(20)31/h1-6,8-9,23-24,30-32H,7H2,(H,33,34)/t9-,23+,24+/m1/s1 |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C25H16N4O6 |
|---|
| Average Mass | 468.4250 Da |
|---|
| Monoisotopic Mass | 468.10698 Da |
|---|
| IUPAC Name | (1R,17S,29S)-6,21,29-trihydroxy-16-oxa-4,11,19,26-tetraazaheptacyclo[15.11.1.0^{2,15}.0^{3,12}.0^{5,10}.0^{18,27}.0^{20,25}]nonacosa-2,4,6,8,10,12,14,18,20(25),21,23,26-dodecaene-13-carboxylic acid |
|---|
| Traditional Name | (1R,17S,29S)-6,21,29-trihydroxy-16-oxa-4,11,19,26-tetraazaheptacyclo[15.11.1.0^{2,15}.0^{3,12}.0^{5,10}.0^{18,27}.0^{20,25}]nonacosa-2,4,6,8,10,12,14,18,20(25),21,23,26-dodecaene-13-carboxylic acid |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | O[C@H]1[C@@H]2CC3=NC4=C(N=C3[C@@H]1OC1=CC(C(O)=O)=C3N=C5C=CC=C(O)C5=NC3=C21)C(O)=CC=C4 |
|---|
| InChI Identifier | InChI=1S/C25H16N4O6/c30-14-5-1-3-11-19(14)28-21-13(26-11)7-9-17-16(35-24(21)23(9)32)8-10(25(33)34)18-22(17)29-20-12(27-18)4-2-6-15(20)31/h1-6,8-9,23-24,30-32H,7H2,(H,33,34)/t9-,23+,24+/m1/s1 |
|---|
| InChI Key | QKUOMBQMSVMPAK-ILWJZNQRSA-N |
|---|
| Experimental Spectra |
|---|
|
| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
|---|
| COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | [email protected] | The University of Queensland | Sarani Kankanamge | 2024-03-21 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | [email protected] | The University of Queensland | Sarani Kankanamge | 2024-03-21 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | [email protected] | The University of Queensland | Sarani Kankanamge | 2024-03-21 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | [email protected] | The University of Queensland | Sarani Kankanamge | 2024-03-21 | View Spectrum |
| | Predicted Spectra |
|---|
|
| Not Available | | Chemical Shift Submissions |
|---|
|
| Not Available | | Species |
|---|
| Species of Origin | |
|---|
| Chemical Taxonomy |
|---|
| Description | This compound 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
- 1-benzopyran
- Benzopyran
- Chromane
- Quinonimine
- O-quinonimine
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Short-chain hydroxy acid
- Hydroxy fatty acid
- Heterocyclic fatty acid
- Branched fatty acid
- Alkyl aryl ether
- Fatty acyl
- Fatty acid
- Benzenoid
- Unsaturated fatty acid
- Pyrazine
- Oxane
- Heteroaromatic compound
- Secondary ketimine
- Cyclic alcohol
- Secondary alcohol
- Ketimine
- Oxacycle
- Azacycle
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Monocarboxylic acid or derivatives
- Ether
- Carboxylic acid
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Imine
- Alcohol
- 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 | |
|---|