Record Information |
---|
Version | 2.0 |
---|
Created at | 2022-09-11 21:24:13 UTC |
---|
Updated at | 2022-09-11 21:24:13 UTC |
---|
NP-MRD ID | NP0320042 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | 5-hydroxy-8-(6-isopropyl-3-methylcyclohex-2-en-1-yl)-7-methoxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one |
---|
Description | 5-Hydroxy-7-methoxy-8-[3-methyl-6-(propan-2-yl)cyclohex-2-en-1-yl]-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one belongs to the class of organic compounds known as 8-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 8-position. 5-hydroxy-8-(6-isopropyl-3-methylcyclohex-2-en-1-yl)-7-methoxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one is found in Lindera umbellata. Based on a literature review very few articles have been published on 5-hydroxy-7-methoxy-8-[3-methyl-6-(propan-2-yl)cyclohex-2-en-1-yl]-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one. |
---|
Structure | COC1=CC(O)=C2C(=O)CC(OC2=C1C1C=C(C)CCC1C(C)C)C1=CC=CC=C1 InChI=1S/C26H30O4/c1-15(2)18-11-10-16(3)12-19(18)24-23(29-4)14-21(28)25-20(27)13-22(30-26(24)25)17-8-6-5-7-9-17/h5-9,12,14-15,18-19,22,28H,10-11,13H2,1-4H3 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C26H30O4 |
---|
Average Mass | 406.5220 Da |
---|
Monoisotopic Mass | 406.21441 Da |
---|
IUPAC Name | 5-hydroxy-7-methoxy-8-[3-methyl-6-(propan-2-yl)cyclohex-2-en-1-yl]-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one |
---|
Traditional Name | 5-hydroxy-8-(6-isopropyl-3-methylcyclohex-2-en-1-yl)-7-methoxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one |
---|
CAS Registry Number | Not Available |
---|
SMILES | COC1=CC(O)=C2C(=O)CC(OC2=C1C1C=C(C)CCC1C(C)C)C1=CC=CC=C1 |
---|
InChI Identifier | InChI=1S/C26H30O4/c1-15(2)18-11-10-16(3)12-19(18)24-23(29-4)14-21(28)25-20(27)13-22(30-26(24)25)17-8-6-5-7-9-17/h5-9,12,14-15,18-19,22,28H,10-11,13H2,1-4H3 |
---|
InChI Key | AHSGBCHOIWPPDO-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, 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 8-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 8-position. |
---|
Kingdom | Organic compounds |
---|
Super Class | Phenylpropanoids and polyketides |
---|
Class | Flavonoids |
---|
Sub Class | Flavans |
---|
Direct Parent | 8-prenylated flavanones |
---|
Alternative Parents | |
---|
Substituents | - 8-prenylated flavanone
- 7-methoxyflavonoid-skeleton
- 5-hydroxyflavonoid
- Flavanone
- Hydroxyflavonoid
- Chromone
- Aromatic monoterpenoid
- Chromane
- Benzopyran
- Bicyclic monoterpenoid
- Monoterpenoid
- 1-benzopyran
- P-menthane monoterpenoid
- Aryl alkyl ketone
- Aryl ketone
- Anisole
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Benzenoid
- Monocyclic benzene moiety
- Vinylogous acid
- Ketone
- Oxacycle
- Organoheterocyclic compound
- Ether
- Hydrocarbon derivative
- Organic oxygen compound
- Organooxygen compound
- Organic oxide
- 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 | |
---|