Record Information |
---|
Version | 1.0 |
---|
Created at | 2021-01-06 07:40:44 UTC |
---|
Updated at | 2021-07-15 17:39:13 UTC |
---|
NP-MRD ID | NP0022501 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | NFAT-68 |
---|
Provided By | NPAtlas |
---|
Description | NFAT-68 is found in Streptomyces sp. and Streptomyces sp. AB 2199J-103 (NRRL B-16948). It was first documented in 1995 (PMID: 7797439). Based on a literature review very few articles have been published on N-{2,5-dihydroxy-3-[(3E,5E)-1-hydroxy-7-methoxy-2,4-dimethyl-7-oxohepta-3,5-dien-1-yl]phenyl}ethanimidic acid. |
---|
Structure | [H]OC1=C([H])C(N([H])C(=O)C([H])([H])[H])=C(O[H])C(=C1[H])[C@]([H])(O[H])[C@@]([H])(C(\[H])=C(\C(\[H])=C(/[H])C(=O)OC([H])([H])[H])/C([H])([H])[H])C([H])([H])[H] InChI=1S/C18H23NO6/c1-10(5-6-16(22)25-4)7-11(2)17(23)14-8-13(21)9-15(18(14)24)19-12(3)20/h5-9,11,17,21,23-24H,1-4H3,(H,19,20)/b6-5+,10-7+/t11-,17-/m1/s1 |
---|
Synonyms | Value | Source |
---|
N-{2,5-dihydroxy-3-[(3E,5E)-1-hydroxy-7-methoxy-2,4-dimethyl-7-oxohepta-3,5-dien-1-yl]phenyl}ethanimidate | Generator | NFAT 68 | MeSH |
|
---|
Chemical Formula | C18H23NO6 |
---|
Average Mass | 349.3830 Da |
---|
Monoisotopic Mass | 349.15254 Da |
---|
IUPAC Name | methyl (2E,4E,7R)-7-(3-acetamido-2,5-dihydroxyphenyl)-7-hydroxy-4,6-dimethylhepta-2,4-dienoate |
---|
Traditional Name | methyl (2E,4E,7R)-7-(3-acetamido-2,5-dihydroxyphenyl)-7-hydroxy-4,6-dimethylhepta-2,4-dienoate |
---|
CAS Registry Number | Not Available |
---|
SMILES | COC(=O)\C=C\C(\C)=C\C(C)C(O)C1=CC(O)=CC(NC(C)=O)=C1O |
---|
InChI Identifier | InChI=1S/C18H23NO6/c1-10(5-6-16(22)25-4)7-11(2)17(23)14-8-13(21)9-15(18(14)24)19-12(3)20/h5-9,11,17,21,23-24H,1-4H3,(H,19,20)/b6-5+,10-7+ |
---|
InChI Key | CEGIRERGELADRL-WEYXYWBQSA-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 | |
---|
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 | |
---|