| Record Information |
|---|
| Version | 2.0 |
|---|
| Created at | 2021-06-22 17:24:42 UTC |
|---|
| Updated at | 2026-02-05 20:01:20 UTC |
|---|
| NP-MRD ID | NP0043829 |
|---|
| Natural Product DOI | https://doi.org/10.57994/5437 |
|---|
| Secondary Accession Numbers | None |
|---|
| Natural Product Identification |
|---|
| Common Name | Aaptamine 3 |
|---|
| Description | 7-Benzoyl-11-methoxy-2,6-diazatricyclo[7.3.1.0⁵,¹³]Trideca-1(12),3,5(13),6,8,10-hexaen-12-ol belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. Aaptamine 3 was first documented in 2013 (PMID: 23282083). Based on a literature review very few articles have been published on 7-benzoyl-11-methoxy-2,6-diazatricyclo[7.3.1.0⁵,¹³]Trideca-1(12),3,5(13),6,8,10-hexaen-12-ol. |
|---|
| Structure | |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C19H14N2O3 |
|---|
| Average Mass | 318.3320 Da |
|---|
| Monoisotopic Mass | 318.10044 Da |
|---|
| IUPAC Name | Not Available |
|---|
| Traditional Name | Not Available |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | Not Available |
|---|
| InChI Identifier | InChI=1S/C19H14N2O3/c1-24-15-10-12-9-14(18(22)11-5-3-2-4-6-11)21-13-7-8-20-17(16(12)13)19(15)23/h2-10,20,23H,1H3 |
|---|
| InChI Key | DKIUYQSXDHVEST-UHFFFAOYSA-N |
|---|
| Experimental Spectra |
|---|
|
| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
|---|
| | Predicted Spectra |
|---|
|
| Not Available | | Chemical Shift Submissions |
|---|
|
| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
|---|
| 1D NMR | 1H NMR Spectrum (1D, 600.0, Methanol-d4, simulated) | [email protected] | Not Available | Not Available | 2026-02-05 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 150.0, Methanol-d4, simulated) | [email protected] | Not Available | Not Available | 2026-02-05 | View Spectrum |
| | Species |
|---|
| Species of Origin | | Species Name | Source | Reference |
|---|
| Aaptos suberitoides | | |
|
|---|
| Chemical Taxonomy |
|---|
| Description | Belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organic oxygen compounds |
|---|
| Class | Organooxygen compounds |
|---|
| Sub Class | Carbonyl compounds |
|---|
| Direct Parent | Aryl-phenylketones |
|---|
| Alternative Parents | |
|---|
| Substituents | - Aryl-phenylketone
- 8-hydroxyquinoline
- Isoquinoline
- Naphthyridine
- Quinoline
- Pyridine carboxylic acid or derivatives
- Anisole
- Benzoyl
- Phenol ether
- Phenol
- Alkyl aryl ether
- Monocyclic benzene moiety
- Benzenoid
- Pyridine
- Heteroaromatic compound
- Ether
- Organoheterocyclic compound
- Azacycle
- Organonitrogen compound
- Organic oxide
- Organic nitrogen compound
- 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 | Not Available |
|---|
