Record Information |
---|
Version | 2.0 |
---|
Created at | 2023-09-27 00:01:33 UTC |
---|
Updated at | 2024-09-03 04:17:15 UTC |
---|
NP-MRD ID | NP0331867 |
---|
Natural Product DOI | https://doi.org/10.57994/0973 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Ormosianine B |
---|
Description | Ormosianine B belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. Based on a literature review very few articles have been published on Ormosianine B. |
---|
Structure | C=CCCN1C[C@@H]2C[C@@H](CNC2=O)C1=O InChI=1S/C11H16N2O2/c1-2-3-4-13-7-9-5-8(11(13)15)6-12-10(9)14/h2,8-9H,1,3-7H2,(H,12,14)/t8-,9-/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C11H16N2O2 |
---|
Average Mass | 208.2610 Da |
---|
Monoisotopic Mass | 208.12118 Da |
---|
IUPAC Name | (1S,5S)-3-(but-3-en-1-yl)-3,7-diazabicyclo[3.3.1]nonane-2,6-dione |
---|
Traditional Name | (1S,5S)-3-(but-3-en-1-yl)-3,7-diazabicyclo[3.3.1]nonane-2,6-dione |
---|
CAS Registry Number | Not Available |
---|
SMILES | C=CCCN1C[C@@H]2C[C@@H](CNC2=O)C1=O |
---|
InChI Identifier | InChI=1S/C11H16N2O2/c1-2-3-4-13-7-9-5-8(11(13)15)6-12-10(9)14/h2,8-9H,1,3-7H2,(H,12,14)/t8-,9-/m0/s1 |
---|
InChI Key | RFEDJMCRRJYDTN-IUCAKERBSA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | 13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental) | jinqiong@mail.kib.ac.cn | Not Available | Not Available | 2023-09-27 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | jinqiong@mail.kib.ac.cn | Not Available | Not Available | 2023-09-27 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental) | jinqiong@mail.kib.ac.cn | Not Available | Not Available | 2023-09-27 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | jinqiong@mail.kib.ac.cn | Not Available | Not Available | 2023-09-27 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | jinqiong@mail.kib.ac.cn | Not Available | Not Available | 2023-09-27 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CDCl3, experimental) | jinqiong@mail.kib.ac.cn | Not Available | Not Available | 2023-09-27 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental) | jinqiong@mail.kib.ac.cn | Not Available | Not Available | 2023-09-27 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental) | jinqiong@mail.kib.ac.cn | Not Available | Not Available | 2023-09-27 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CDCl3, experimental) | jinqiong@mail.kib.ac.cn | Not Available | Not Available | 2023-09-27 | View Spectrum |
| Predicted Spectra |
---|
|
| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
---|
| Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | Species Name | Source | Reference |
---|
yunnanensis | | |
|
---|
Chemical Taxonomy |
---|
Description | This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic acids and derivatives |
---|
Class | Carboxylic acids and derivatives |
---|
Sub Class | Amino acids, peptides, and analogues |
---|
Direct Parent | Beta amino acids and derivatives |
---|
Alternative Parents | |
---|
Substituents | - Beta amino acid or derivatives
- Piperidinecarboxamide
- 3-piperidinecarboxamide
- Piperidinone
- Delta-lactam
- Fatty acyl
- Piperidine
- N-acyl-amine
- Fatty amide
- Tertiary carboxylic acid amide
- Lactam
- Carboxamide group
- Azacycle
- Organoheterocyclic compound
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- 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 | |
---|