Record Information |
---|
Version | 2.0 |
---|
Created at | 2021-01-05 22:34:39 UTC |
---|
Updated at | 2021-07-15 17:13:36 UTC |
---|
NP-MRD ID | NP0013114 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Indimicin D |
---|
Provided By | NPAtlas |
---|
Description | Indimicin D is found in Streptomyces. Based on a literature review very few articles have been published on Indimicin D. |
---|
Structure | [H]N1C([H])=C2C3=C(N([H])C4=C([H])C([H])=C(Cl)C([H])=C34)[C@@]3([H])N(C4=C([H])C([H])=C(Cl)C([H])=C4[C@]3(C2=C1[H])C([H])([H])[H])C([H])([H])[H] InChI=1S/C22H17Cl2N3/c1-22-15-8-12(24)4-6-18(15)27(2)21(22)20-19(14-9-25-10-16(14)22)13-7-11(23)3-5-17(13)26-20/h3-10,21,25-26H,1-2H3/t21-,22+/m1/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C22H17Cl2N3 |
---|
Average Mass | 394.3000 Da |
---|
Monoisotopic Mass | 393.07995 Da |
---|
IUPAC Name | (2S,10S)-7,19-dichloro-3,10-dimethyl-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),4,6,8,11,14,17,19,21-nonaene |
---|
Traditional Name | (2S,10S)-7,19-dichloro-3,10-dimethyl-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),4,6,8,11,14,17,19,21-nonaene |
---|
CAS Registry Number | Not Available |
---|
SMILES | CN1[C@@H]2C3=C(C4=CNC=C4[C@]2(C)C2=C1C=CC(Cl)=C2)C1=C(N3)C=CC(Cl)=C1 |
---|
InChI Identifier | InChI=1S/C22H17Cl2N3/c1-22-15-8-12(24)4-6-18(15)27(2)21(22)20-19(14-9-25-10-16(14)22)13-7-11(23)3-5-17(13)26-20/h3-10,21,25-26H,1-2H3/t21-,22+/m1/s1 |
---|
InChI Key | LDQFIYNIQYYGSV-YADHBBJMSA-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 | |
---|