Record Information |
---|
Version | 2.0 |
---|
Created at | 2023-10-05 12:00:27 UTC |
---|
Updated at | 2024-09-03 04:17:23 UTC |
---|
NP-MRD ID | NP0331909 |
---|
Natural Product DOI | https://doi.org/10.57994/1021 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Chrysanthemumside B |
---|
Description | Chrysanthemumside B belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Chrysanthemumside B was first documented in 2023 (PMID: 37752790). Based on a literature review very few articles have been published on Chrysanthemumside B. |
---|
Structure | COC1=C(CC(=O)C(C)(C)OC2OC(CO)C(O)C(O)C2O)C(=O)NC2=CC=CC=C12 InChI=1/C21H27NO9/c1-21(2,31-20-17(27)16(26)15(25)13(9-23)30-20)14(24)8-11-18(29-3)10-6-4-5-7-12(10)22-19(11)28/h4-7,13,15-17,20,23,25-27H,8-9H2,1-3H3,(H,22,28) |
---|
Synonyms | Not Available |
---|
Chemical Formula | C21H27NO9 |
---|
Average Mass | 437.4450 Da |
---|
Monoisotopic Mass | 437.16858 Da |
---|
IUPAC Name | 4-methoxy-3-(3-methyl-2-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-1,2-dihydroquinolin-2-one |
---|
Traditional Name | 4-methoxy-3-(3-methyl-2-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-1H-quinolin-2-one |
---|
CAS Registry Number | Not Available |
---|
SMILES | COC1=C(CC(=O)C(C)(C)OC2OC(CO)C(O)C(O)C2O)C(=O)NC2=CC=CC=C12 |
---|
InChI Identifier | InChI=1/C21H27NO9/c1-21(2,31-20-17(27)16(26)15(25)13(9-23)30-20)14(24)8-11-18(29-3)10-6-4-5-7-12(10)22-19(11)28/h4-7,13,15-17,20,23,25-27H,8-9H2,1-3H3,(H,22,28) |
---|
InChI Key | NDWBWOWZMBNWRL-UHFFFAOYNA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
| Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | 1H NMR Spectrum (1D, 500.11, CD3OD, simulated) | 267222870@qq.com | Xinyang Agriculture and Forestry University | nailiang zhu | 2024-05-09 | View Spectrum |
| Species |
---|
Species of Origin | Species Name | Source | Reference |
---|
indicum | | |
|
---|
Chemical Taxonomy |
---|
Description | This compound belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. These are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Fatty Acyls |
---|
Sub Class | Fatty acyl glycosides |
---|
Direct Parent | Fatty acyl glycosides of mono- and disaccharides |
---|
Alternative Parents | |
---|
Substituents | - Fatty acyl glycoside of mono- or disaccharide
- Alkyl glycoside
- Dihydroquinolone
- Quinoline
- Dihydroquinoline
- Polyhalopyridine
- Methylpyridine
- Hydroxypyridine
- Pyridinone
- Alkyl aryl ether
- Benzenoid
- Pyridine
- Oxane
- N-acyl-amine
- Monosaccharide
- Fatty amide
- Heteroaromatic compound
- Vinylogous ester
- Secondary alcohol
- Lactam
- Ketone
- Carboxamide group
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Ether
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Alcohol
- Aromatic heteropolycyclic compound
|
---|
Molecular Framework | Aromatic heteropolycyclic compounds |
---|
External Descriptors | Not Available |
---|
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 | |
---|