Record Information |
---|
Version | 2.0 |
---|
Created at | 2021-01-05 20:39:39 UTC |
---|
Updated at | 2021-07-15 17:07:13 UTC |
---|
NP-MRD ID | NP0010835 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Kiamycin |
---|
Provided By | NPAtlas |
---|
Description | Kiamycin is found in Streptomyces. Kiamycin was first documented in 2012 (PMID: 22611353). Based on a literature review very few articles have been published on (1S,8S,9S,18R)-6-methoxy-14-methyl-19-oxapentacyclo[14.2.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]Nonadeca-2(7),3,5,10,12(17),13,15-heptaene-8,9-diol. |
---|
Structure | [H]O[C@@]1([H])C2=C(C([H])=C([H])C([H])=C2OC([H])([H])[H])[C@@]2([H])OC3=C4C(C([H])=C([H])[C@]1(O[H])[C@@]24[H])=C([H])C(=C3[H])C([H])([H])[H] InChI=1S/C20H18O4/c1-10-8-11-6-7-20(22)17-15(11)14(9-10)24-18(17)12-4-3-5-13(23-2)16(12)19(20)21/h3-9,17-19,21-22H,1-2H3/t17-,18-,19+,20+/m1/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C20H18O4 |
---|
Average Mass | 322.3600 Da |
---|
Monoisotopic Mass | 322.12051 Da |
---|
IUPAC Name | (1S,8S,9S,18R)-6-methoxy-14-methyl-19-oxapentacyclo[14.2.1.0^{2,7}.0^{9,18}.0^{12,17}]nonadeca-2(7),3,5,10,12,14,16-heptaene-8,9-diol |
---|
Traditional Name | (1S,8S,9S,18R)-6-methoxy-14-methyl-19-oxapentacyclo[14.2.1.0^{2,7}.0^{9,18}.0^{12,17}]nonadeca-2(7),3,5,10,12,14,16-heptaene-8,9-diol |
---|
CAS Registry Number | Not Available |
---|
SMILES | COC1=CC=CC2=C1[C@H](O)[C@]1(O)C=CC3=CC(C)=CC4=C3[C@@H]1[C@@H]2O4 |
---|
InChI Identifier | InChI=1S/C20H18O4/c1-10-8-11-6-7-20(22)17-15(11)14(9-10)24-18(17)12-4-3-5-13(23-2)16(12)19(20)21/h3-9,17-19,21-22H,1-2H3/t17-,18-,19+,20+/m1/s1 |
---|
InChI Key | DZZWPZQOEKAGKX-ZRNYENFQSA-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 | |
---|