Record Information |
---|
Version | 1.0 |
---|
Created at | 2020-12-09 06:02:43 UTC |
---|
Updated at | 2021-07-15 17:00:28 UTC |
---|
NP-MRD ID | NP0008460 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Limazepine A |
---|
Provided By | NPAtlas |
---|
Description | Limazepine A is found in Micrococcus. It was first documented in 2009 (PMID: 19388705). Based on a literature review very few articles have been published on (7S)-5-ethyl-8,11-dihydroxy-12-methoxy-3,9-diazatricyclo[8.4.0.0³,⁷]Tetradeca-1(10),4,8,11,13-pentaen-2-one. |
---|
Structure | [H]OC1=C2N([H])C(=O)[C@@]3([H])N(C([H])=C(C([H])([H])C([H])([H])[H])C3([H])[H])C(=O)C2=C([H])C([H])=C1OC([H])([H])[H] InChI=1S/C15H16N2O4/c1-3-8-6-10-14(19)16-12-9(15(20)17(10)7-8)4-5-11(21-2)13(12)18/h4-5,7,10,18H,3,6H2,1-2H3,(H,16,19)/t10-/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C15H16N2O4 |
---|
Average Mass | 288.3030 Da |
---|
Monoisotopic Mass | 288.11101 Da |
---|
IUPAC Name | (7S)-5-ethyl-11-hydroxy-12-methoxy-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),4,10,12-tetraene-2,8-dione |
---|
Traditional Name | (7S)-5-ethyl-11-hydroxy-12-methoxy-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),4,10,12-tetraene-2,8-dione |
---|
CAS Registry Number | Not Available |
---|
SMILES | CCC1=CN2[C@@H](C1)C(=O)NC1=C(C=CC(OC)=C1O)C2=O |
---|
InChI Identifier | InChI=1S/C15H16N2O4/c1-3-8-6-10-14(19)16-12-9(15(20)17(10)7-8)4-5-11(21-2)13(12)18/h4-5,7,10,18H,3,6H2,1-2H3,(H,16,19)/t10-/m0/s1 |
---|
InChI Key | WFFPORSPDSBCLL-JTQLQIEISA-N |
---|
Experimental Spectra |
---|
|
| Not Available | Predicted Spectra |
---|
|
| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | |
---|
Species Where Detected | |
---|
Chemical Taxonomy |
---|
Classification | Not classified |
---|
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 | |
---|