Record Information |
---|
Version | 1.0 |
---|
Created at | 2022-09-04 21:26:18 UTC |
---|
Updated at | 2022-09-04 21:26:19 UTC |
---|
NP-MRD ID | NP0202251 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | (2e)-3-(4-hydroxy-3-methoxyphenyl)-2-{2-hydroxy-5-[(1e)-2-{[2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}eth-1-en-1-yl]-3-methoxyphenyl}-n-[2-(4-hydroxyphenyl)ethyl]prop-2-enimidic acid |
---|
Description | (E)-N-(4-Hydroxyphenethyl)-2-[2-hydroxy-3-methoxy-5-[(E)-3-[(4-hydroxyphenethyl)amino]-3-oxo-1-propenyl]phenyl]-3-(3-methoxy-4-hydroxyphenyl)propeneamide belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. (2e)-3-(4-hydroxy-3-methoxyphenyl)-2-{2-hydroxy-5-[(1e)-2-{[2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}eth-1-en-1-yl]-3-methoxyphenyl}-n-[2-(4-hydroxyphenyl)ethyl]prop-2-enimidic acid is found in Mesembryanthemum cordifolium. Based on a literature review very few articles have been published on (E)-N-(4-Hydroxyphenethyl)-2-[2-hydroxy-3-methoxy-5-[(E)-3-[(4-hydroxyphenethyl)amino]-3-oxo-1-propenyl]phenyl]-3-(3-methoxy-4-hydroxyphenyl)propeneamide. |
---|
Structure | COC1=CC(\C=C(\C(O)=NCCC2=CC=C(O)C=C2)C2=CC(\C=C\C(O)=NCCC3=CC=C(O)C=C3)=CC(OC)=C2O)=CC=C1O InChI=1S/C36H36N2O8/c1-45-32-21-25(7-13-31(32)41)20-30(36(44)38-18-16-24-5-11-28(40)12-6-24)29-19-26(22-33(46-2)35(29)43)8-14-34(42)37-17-15-23-3-9-27(39)10-4-23/h3-14,19-22,39-41,43H,15-18H2,1-2H3,(H,37,42)(H,38,44)/b14-8+,30-20+ |
---|
Synonyms | Not Available |
---|
Chemical Formula | C36H36N2O8 |
---|
Average Mass | 624.6900 Da |
---|
Monoisotopic Mass | 624.24717 Da |
---|
IUPAC Name | (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-{2-hydroxy-5-[(1E)-2-{[2-(4-hydroxyphenyl)ethyl]-C-hydroxycarbonimidoyl}eth-1-en-1-yl]-3-methoxyphenyl}-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enimidic acid |
---|
Traditional Name | (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-{2-hydroxy-5-[(1E)-2-{[2-(4-hydroxyphenyl)ethyl]-C-hydroxycarbonimidoyl}eth-1-en-1-yl]-3-methoxyphenyl}-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enimidic acid |
---|
CAS Registry Number | Not Available |
---|
SMILES | COC1=CC(\C=C(\C(O)=NCCC2=CC=C(O)C=C2)C2=CC(\C=C\C(O)=NCCC3=CC=C(O)C=C3)=CC(OC)=C2O)=CC=C1O |
---|
InChI Identifier | InChI=1S/C36H36N2O8/c1-45-32-21-25(7-13-31(32)41)20-30(36(44)38-18-16-24-5-11-28(40)12-6-24)29-19-26(22-33(46-2)35(29)43)8-14-34(42)37-17-15-23-3-9-27(39)10-4-23/h3-14,19-22,39-41,43H,15-18H2,1-2H3,(H,37,42)(H,38,44)/b14-8+,30-20+ |
---|
InChI Key | DQZZXARUFSHEMN-HTBVCZDNSA-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, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. |
---|
Kingdom | Organic compounds |
---|
Super Class | Phenylpropanoids and polyketides |
---|
Class | Stilbenes |
---|
Sub Class | Not Available |
---|
Direct Parent | Stilbenes |
---|
Alternative Parents | |
---|
Substituents | - Stilbene
- Cinnamic acid amide
- Cinnamic acid or derivatives
- Hydroxycinnamic acid or derivatives
- Methoxyphenol
- Phenylacetamide
- Anisole
- Phenoxy compound
- Phenol ether
- Styrene
- Methoxybenzene
- Phenol
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Benzenoid
- Monocyclic benzene moiety
- Secondary carboxylic acid amide
- Carboxamide group
- Carboxylic acid derivative
- Ether
- Carbonyl group
- Organic nitrogen compound
- Organic oxygen compound
- Organonitrogen compound
- Organic oxide
- Organooxygen compound
- Hydrocarbon derivative
- Aromatic homomonocyclic compound
|
---|
Molecular Framework | Aromatic homomonocyclic 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 | |
---|