| Record Information |
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| Version | 2.0 |
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| Created at | 2024-03-21 17:26:45 UTC |
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| Updated at | 2025-12-21 21:41:03 UTC |
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| NP-MRD ID | NP0332703 |
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| Natural Product DOI | https://doi.org/10.57994/1963 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | tepuazine C |
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| Description | Tepuazine C 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. Based on a literature review very few articles have been published on tepuazine C. |
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| Structure | C[C@@H]1O[C@@H](OC2=C3N=C4C=CC=C(N(C)C5=CC=C(C=C5)C(O)=O)C4=NC3=CC=C2)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C26H25N3O7/c1-13-22(30)23(31)24(32)26(35-13)36-19-8-4-6-17-21(19)28-16-5-3-7-18(20(16)27-17)29(2)15-11-9-14(10-12-15)25(33)34/h3-13,22-24,26,30-32H,1-2H3,(H,33,34)/t13-,22-,23+,24+,26-/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C26H25N3O7 |
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| Average Mass | 491.5000 Da |
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| Monoisotopic Mass | 491.16925 Da |
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| IUPAC Name | 4-[methyl(6-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenazin-1-yl)amino]benzoic acid |
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| Traditional Name | 4-[methyl(6-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenazin-1-yl)amino]benzoic acid |
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| CAS Registry Number | Not Available |
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| SMILES | C[C@@H]1O[C@@H](OC2=C3N=C4C=CC=C(N(C)C5=CC=C(C=C5)C(O)=O)C4=NC3=CC=C2)[C@H](O)[C@H](O)[C@H]1O |
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| InChI Identifier | InChI=1S/C26H25N3O7/c1-13-22(30)23(31)24(32)26(35-13)36-19-8-4-6-17-21(19)28-16-5-3-7-18(20(16)27-17)29(2)15-11-9-14(10-12-15)25(33)34/h3-13,22-24,26,30-32H,1-2H3,(H,33,34)/t13-,22-,23+,24+,26-/m0/s1 |
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| InChI Key | OOVNFEKVSYHPFG-WJOLNTGFSA-N |
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| Experimental Spectra |
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| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | [email protected] | The University of Queensland | Sarani Kankanamge | 2024-03-21 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | [email protected] | The University of Queensland | Sarani Kankanamge | 2024-03-21 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | [email protected] | The University of Queensland | Sarani Kankanamge | 2024-03-21 | View Spectrum | | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | [email protected] | The University of Queensland | Sarani Kankanamge | 2024-03-21 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | [email protected] | The University of Queensland | Sarani Kankanamge | 2024-03-21 | View Spectrum |
| | Predicted Spectra |
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| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | |
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| Chemical Taxonomy |
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| 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. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Diazanaphthalenes |
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| Sub Class | Benzodiazines |
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| Direct Parent | Phenazines and derivatives |
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| Alternative Parents | |
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| Substituents | - Phenazine
- Alkyldiarylamine
- Aminobenzoic acid or derivatives
- Benzoic acid
- Benzoic acid or derivatives
- Aniline or substituted anilines
- Tertiary aliphatic/aromatic amine
- Quinonimine
- O-quinonimine
- Benzoyl
- Hydroxy fatty acid
- Heterocyclic fatty acid
- Branched fatty acid
- Fatty acyl
- Fatty acid
- Benzenoid
- Unsaturated fatty acid
- Pyrazine
- Oxane
- Monosaccharide
- Monocyclic benzene moiety
- Heteroaromatic compound
- Secondary ketimine
- Amino acid
- Tertiary aliphatic amine
- Tertiary amine
- Secondary alcohol
- Ketimine
- Amino acid or derivatives
- Oxacycle
- Azacycle
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Monocarboxylic acid or derivatives
- Enamine
- Carboxylic acid
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Imine
- Amine
- Alcohol
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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