Record Information |
---|
Version | 1.0 |
---|
Created at | 2024-05-03 06:34:54 UTC |
---|
Updated at | 2024-05-05 00:32:29 UTC |
---|
NP-MRD ID | NP0333000 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | grisechelin H |
---|
Description | Not Available |
---|
Structure | OC(=O)C1=NC2=CC=C(Cl)C=C2C=C1O InChI=1S/C10H6ClNO3/c11-6-1-2-7-5(3-6)4-8(13)9(12-7)10(14)15/h1-4,13H,(H,14,15) |
---|
Synonyms | Not Available |
---|
Chemical Formula | C10H6ClNO3 |
---|
Average Mass | 223.6100 Da |
---|
Monoisotopic Mass | 223.00362 Da |
---|
IUPAC Name | 6-chloro-3-hydroxyquinoline-2-carboxylic acid |
---|
Traditional Name | 6-chloro-3-hydroxyquinoline-2-carboxylic acid |
---|
CAS Registry Number | Not Available |
---|
SMILES | OC(=O)C1=NC2=CC=C(Cl)C=C2C=C1O |
---|
InChI Identifier | InChI=1S/C10H6ClNO3/c11-6-1-2-7-5(3-6)4-8(13)9(12-7)10(14)15/h1-4,13H,(H,14,15) |
---|
InChI Key | UMJMWTNVWLKOER-UHFFFAOYSA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
HMBC NMR | [1H, 13C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental) | wzhang@scsio.ac.cn | Not Available | Not Available | 2024-05-03 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental) | wzhang@scsio.ac.cn | Not Available | Not Available | 2024-05-03 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental) | wzhang@scsio.ac.cn | Not Available | Not Available | 2024-05-03 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental) | wzhang@scsio.ac.cn | Not Available | Not Available | 2024-05-03 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental) | wzhang@scsio.ac.cn | Not Available | Not Available | 2024-05-03 | View Spectrum |
| Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | 1H NMR Spectrum (1D, 700.18490126, C2D6OS, simulated) | wzhang@scsio.ac.cn | South China Sea Institute of Oceanology, CAS | Wenjun Zhang | 2024-05-03 | View Spectrum |
| 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 | |
---|
General References | - Liu W, Zhai S, Zhang L, Chen Y, Liu Z, Ma W, Zhang T, Zhang W, Ma L, Zhang C, Zhang W: Expanding the Chemical Diversity of Grisechelins via Heterologous Expression. J Nat Prod. 2024 Feb 23;87(2):371-380. doi: 10.1021/acs.jnatprod.3c01132. Epub 2024 Feb 1. [PubMed:38301035 ]
|
---|