| Record Information |
|---|
| Version | 2.0 |
|---|
| Created at | 2021-06-21 00:38:48 UTC |
|---|
| Updated at | 2021-06-30 00:18:42 UTC |
|---|
| NP-MRD ID | NP0043163 |
|---|
| Secondary Accession Numbers | None |
|---|
| Natural Product Identification |
|---|
| Common Name | zamamiphidin A |
|---|
| Provided By | JEOL Database |
|---|
| Description | (1R,2R,3R,6Z,13R,14S,15S,18S,23Z,27R)-29-oxa-12,18λ⁵-diazaheptacyclo[12.12.1.1¹,¹³.1³,¹⁸.0²,¹².0³,¹⁵.0¹⁸,²⁷]Nonacosa-6,23-dien-18-ylium belongs to the class of organic compounds known as naphthyridines. Naphthyridines are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom. zamamiphidin A is found in Amphimedon sp. zamamiphidin A was first documented in 2013 (Kubota, T., et al.). Based on a literature review very few articles have been published on (1R,2R,3R,6Z,13R,14S,15S,18S,23Z,27R)-29-oxa-12,18λ⁵-diazaheptacyclo[12.12.1.1¹,¹³.1³,¹⁸.0²,¹².0³,¹⁵.0¹⁸,²⁷]Nonacosa-6,23-dien-18-ylium. |
|---|
| Structure | [H]\C1=C([H])\C([H])([H])C([H])([H])[C@]23O[C@@]4([H])N5C([H])([H])C([H])([H])C([H])([H])C([H])([H])\C([H])=C([H])/C([H])([H])C([H])([H])[C@@]6(C([H])([H])[N@@+]7(C([H])([H])C([H])([H])[C@@]6([H])[C@@]4([H])[C@]27[H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])[C@]35[H] InChI=1S/C26H39N2O/c1-3-7-11-16-27-23-21-20-13-18-28-17-12-8-4-2-6-10-15-26(29-23,22(21)28)24(27)25(20,19-28)14-9-5-1/h1-2,5-6,20-24H,3-4,7-19H2/q+1/b5-1-,6-2-/t20-,21-,22+,23+,24+,25-,26-,28-/m0/s1 |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C26H39N2O |
|---|
| Average Mass | 395.6100 Da |
|---|
| Monoisotopic Mass | 395.30569 Da |
|---|
| IUPAC Name | (1R,2R,3R,6Z,13R,14S,15S,18S,23Z,27R)-29-oxa-12,18lambda5-diazaheptacyclo[12.12.1.1^{1,13}.1^{3,18}.0^{2,12}.0^{3,15}.0^{18,27}]nonacosa-6,23-dien-18-ylium |
|---|
| Traditional Name | (1R,2R,3R,6Z,13R,14S,15S,18S,23Z,27R)-29-oxa-12,18lambda5-diazaheptacyclo[12.12.1.1^{1,13}.1^{3,18}.0^{2,12}.0^{3,15}.0^{18,27}]nonacosa-6,23-dien-18-ylium |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | [H]\C1=C([H])\C([H])([H])C([H])([H])[C@]23O[C@@]4([H])N5C([H])([H])C([H])([H])C([H])([H])C([H])([H])\C([H])=C([H])/C([H])([H])C([H])([H])[C@@]6(C([H])([H])[N@@+]7(C([H])([H])C([H])([H])[C@@]6([H])[C@@]4([H])[C@]27[H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])[C@]35[H] |
|---|
| InChI Identifier | InChI=1S/C26H39N2O/c1-3-7-11-16-27-23-21-20-13-18-28-17-12-8-4-2-6-10-15-26(29-23,22(21)28)24(27)25(20,19-28)14-9-5-1/h1-2,5-6,20-24H,3-4,7-19H2/q+1/b5-1-,6-2-/t20-,21-,22+,23+,24+,25-,26-,28-/m0/s1 |
|---|
| InChI Key | JMHLAJDWOVXASI-QXMWYOTASA-N |
|---|
| Experimental Spectra |
|---|
|
| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
|---|
| 1D NMR | 13C NMR Spectrum (1D, 600 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| | Predicted Spectra |
|---|
|
| Not Available | | Chemical Shift Submissions |
|---|
|
| Not Available | | Species |
|---|
| Species of Origin | | Species Name | Source | Reference |
|---|
| Amphimedon sp. | JEOL database | - Kubota, T., et al, Org. Lett.,15 610 (2013)
|
|
|---|
| Chemical Taxonomy |
|---|
| Description | Belongs to the class of organic compounds known as naphthyridines. Naphthyridines are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organoheterocyclic compounds |
|---|
| Class | Diazanaphthalenes |
|---|
| Sub Class | Naphthyridines |
|---|
| Direct Parent | Naphthyridines |
|---|
| Alternative Parents | |
|---|
| Substituents | - Quinolizidine
- Naphthyridine
- Quinuclidine
- Oxepane
- Piperidine
- Tetraalkylammonium salt
- Tetrahydrofuran
- Quaternary ammonium salt
- Oxazolidine
- Hemiaminal
- Oxacycle
- Azacycle
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organic salt
- Organooxygen compound
- Organonitrogen compound
- Amine
- Organic cation
- Aliphatic heteropolycyclic compound
|
|---|
| Molecular Framework | Aliphatic 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 | |
|---|