Record Information |
---|
Version | 1.0 |
---|
Created at | 2020-12-09 00:33:12 UTC |
---|
Updated at | 2021-07-15 16:46:08 UTC |
---|
NP-MRD ID | NP0003331 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | (2S)-5-hydroxy-6,8,10-trimethoxy-2-methyl-4H-2,3-dihydronaphtho[2,3-b]pyran-4-one |
---|
Provided By | NPAtlas |
---|
Description | (2S)-5-hydroxy-6,8,10-trimethoxy-2-methyl-2H,3H,4H-naphtho[2,3-b]pyran-4-one belongs to the class of organic compounds known as naphthopyranones. Naphthopyranones are compounds containing a naphthopyran skeleton where a ring carbon bears a carboxylic acid group. Naphthtopyran is made up of the pyran ring fused to a naphthalene ring system. (2S)-5-hydroxy-6,8,10-trimethoxy-2-methyl-4H-2,3-dihydronaphtho[2,3-b]pyran-4-one is found in Guanomyces polythrix. It was first documented in 2000 (PMID: 10869195). Based on a literature review very few articles have been published on (2S)-5-hydroxy-6,8,10-trimethoxy-2-methyl-2H,3H,4H-naphtho[2,3-b]pyran-4-one. |
---|
Structure | [H]OC1=C2C(=O)C([H])([H])[C@@]([H])(OC2=C(OC([H])([H])[H])C2=C([H])C(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C12)C([H])([H])[H] InChI=1S/C17H18O6/c1-8-5-11(18)14-15(19)13-10(16(22-4)17(14)23-8)6-9(20-2)7-12(13)21-3/h6-8,19H,5H2,1-4H3/t8-/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C17H18O6 |
---|
Average Mass | 318.3250 Da |
---|
Monoisotopic Mass | 318.11034 Da |
---|
IUPAC Name | (2S)-5-hydroxy-6,8,10-trimethoxy-2-methyl-2H,3H,4H-naphtho[2,3-b]pyran-4-one |
---|
Traditional Name | (2S)-5-hydroxy-6,8,10-trimethoxy-2-methyl-2H,3H-naphtho[2,3-b]pyran-4-one |
---|
CAS Registry Number | Not Available |
---|
SMILES | COC1=CC(OC)=C2C(O)=C3C(=O)C[C@H](C)OC3=C(OC)C2=C1 |
---|
InChI Identifier | InChI=1S/C17H18O6/c1-8-5-11(18)14-15(19)13-10(16(22-4)17(14)23-8)6-9(20-2)7-12(13)21-3/h6-8,19H,5H2,1-4H3/t8-/m0/s1 |
---|
InChI Key | DWGSEYZQYRDTJV-QMMMGPOBSA-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, 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 naphthopyranones. Naphthopyranones are compounds containing a naphthopyran skeleton where a ring carbon bears a carboxylic acid group. Naphthtopyran is made up of the pyran ring fused to a naphthalene ring system. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organoheterocyclic compounds |
---|
Class | Naphthopyrans |
---|
Sub Class | Naphthopyranones |
---|
Direct Parent | Naphthopyranones |
---|
Alternative Parents | |
---|
Substituents | - Benzochromone
- Naphthopyranone
- Chromone
- 1-naphthol
- Chromane
- Benzopyran
- Naphthalene
- 1-benzopyran
- Anisole
- Aryl alkyl ketone
- Aryl ketone
- Phenol ether
- Alkyl aryl ether
- Phenol
- Pyranone
- Pyran
- Benzenoid
- Vinylogous acid
- Ketone
- Ether
- Oxacycle
- Organic oxygen compound
- Organooxygen compound
- Hydrocarbon derivative
- 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 | |
---|