Record Information |
---|
Version | 1.0 |
---|
Created at | 2021-01-06 01:03:36 UTC |
---|
Updated at | 2021-07-15 17:21:20 UTC |
---|
NP-MRD ID | NP0015937 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | 8-chloro-3'4', 5, 7-tetrahydroxyisoflavone |
---|
Provided By | NPAtlas |
---|
Description | 8-chloro-3'4', 5, 7-tetrahydroxyisoflavone is found in Streptomyces sp. It was first documented in 1989 (PMID: 2793588). Based on a literature review very few articles have been published on 8-chloro-3'4', 5, 7-tetrahydroxyisoflavone. |
---|
Structure | [H]OC1=C([H])C([H])=C2C(=O)C(=C([H])OC2=C1Cl)C1=C([H])C([H])=C(O[H])C(O[H])=C1[H] InChI=1S/C15H9ClO5/c16-13-11(18)4-2-8-14(20)9(6-21-15(8)13)7-1-3-10(17)12(19)5-7/h1-6,17-19H |
---|
Synonyms | Not Available |
---|
Chemical Formula | C15H9ClO5 |
---|
Average Mass | 304.6800 Da |
---|
Monoisotopic Mass | 304.01385 Da |
---|
IUPAC Name | 8-chloro-3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one |
---|
Traditional Name | 8-chloro-3-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one |
---|
CAS Registry Number | Not Available |
---|
SMILES | OC1=C(O)C=C(C=C1)C1=COC2=C(C=CC(O)=C2Cl)C1=O |
---|
InChI Identifier | InChI=1S/C15H9ClO5/c16-13-11(18)4-2-8-14(20)9(6-21-15(8)13)7-1-3-10(17)12(19)5-7/h1-6,17-19H |
---|
InChI Key | HTCQEKFHQQJYJF-UHFFFAOYSA-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 | |
---|