Record Information |
---|
Version | 2.0 |
---|
Created at | 2022-09-10 04:06:52 UTC |
---|
Updated at | 2022-09-10 04:06:52 UTC |
---|
NP-MRD ID | NP0295226 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | 3,6,8-trihydroxy-1-[(2e,6r)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]-2-methoxyxanthen-9-one |
---|
Description | 3,6,8-Trihydroxy-1-[(2E,6R)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]-2-methoxy-9H-xanthen-9-one belongs to the class of organic compounds known as 8-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 8-position. Xanthone is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring that carries a ketone group. 3,6,8-trihydroxy-1-[(2e,6r)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]-2-methoxyxanthen-9-one is found in Garcinia parvifolia. Based on a literature review very few articles have been published on 3,6,8-trihydroxy-1-[(2E,6R)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]-2-methoxy-9H-xanthen-9-one. |
---|
Structure | COC1=C(O)C=C2OC3=CC(O)=CC(O)=C3C(=O)C2=C1C\C=C(/C)CC[C@@H](O)C(C)=C InChI=1S/C24H26O7/c1-12(2)16(26)8-6-13(3)5-7-15-21-20(11-18(28)24(15)30-4)31-19-10-14(25)9-17(27)22(19)23(21)29/h5,9-11,16,25-28H,1,6-8H2,2-4H3/b13-5+/t16-/m1/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C24H26O7 |
---|
Average Mass | 426.4650 Da |
---|
Monoisotopic Mass | 426.16785 Da |
---|
IUPAC Name | 3,6,8-trihydroxy-1-[(2E,6R)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]-2-methoxy-9H-xanthen-9-one |
---|
Traditional Name | 3,6,8-trihydroxy-1-[(2E,6R)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]-2-methoxyxanthen-9-one |
---|
CAS Registry Number | Not Available |
---|
SMILES | COC1=C(O)C=C2OC3=CC(O)=CC(O)=C3C(=O)C2=C1C\C=C(/C)CC[C@@H](O)C(C)=C |
---|
InChI Identifier | InChI=1S/C24H26O7/c1-12(2)16(26)8-6-13(3)5-7-15-21-20(11-18(28)24(15)30-4)31-19-10-14(25)9-17(27)22(19)23(21)29/h5,9-11,16,25-28H,1,6-8H2,2-4H3/b13-5+/t16-/m1/s1 |
---|
InChI Key | PNSUKASXPDTEFK-ZUFYJRLNSA-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 xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 8-position. Xanthone is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring that carries a ketone group. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organoheterocyclic compounds |
---|
Class | Benzopyrans |
---|
Sub Class | 1-benzopyrans |
---|
Direct Parent | 8-prenylated xanthones |
---|
Alternative Parents | |
---|
Substituents | - 8-prenylated xanthone
- Chromone
- Fatty alcohol
- Anisole
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Pyranone
- Fatty acyl
- Benzenoid
- Pyran
- Heteroaromatic compound
- Vinylogous acid
- Secondary alcohol
- Ether
- Oxacycle
- Polyol
- Alcohol
- 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 | |
---|