Record Information |
---|
Version | 2.0 |
---|
Created at | 2022-09-04 16:09:34 UTC |
---|
Updated at | 2022-09-04 16:09:34 UTC |
---|
NP-MRD ID | NP0197824 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | 10-[(2s,3s,4r)-5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2,3,4-trihydroxypentyl]-4-hydroxy-7,8-dimethylbenzo[g]pteridin-2-one |
---|
Description | Lampteroflavin belongs to the class of organic compounds known as flavins. Flavins are compounds containing a flavin (7,8-dimethyl-benzo[g]pteridine-2,4-dione) moiety, with a structure characterized by an isoalloaxzine tricyclic ring. 10-[(2s,3s,4r)-5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2,3,4-trihydroxypentyl]-4-hydroxy-7,8-dimethylbenzo[g]pteridin-2-one is found in Omphalotus japonicus. Based on a literature review very few articles have been published on Lampteroflavin. |
---|
Structure | CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)COC3OC(CO)C(O)C3O)C3=NC(=O)N=C(O)C3=NC2=C1 InChI=1S/C22H28N4O10/c1-8-3-10-11(4-9(8)2)26(19-15(23-10)20(33)25-22(34)24-19)5-12(28)16(30)13(29)7-35-21-18(32)17(31)14(6-27)36-21/h3-4,12-14,16-18,21,27-32H,5-7H2,1-2H3,(H,25,33,34)/t12-,13+,14?,16-,17?,18?,21?/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C22H28N4O10 |
---|
Average Mass | 508.4840 Da |
---|
Monoisotopic Mass | 508.18054 Da |
---|
IUPAC Name | 10-[(2S,3S,4R)-5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2,3,4-trihydroxypentyl]-4-hydroxy-7,8-dimethyl-2H,10H-benzo[g]pteridin-2-one |
---|
Traditional Name | 10-[(2S,3S,4R)-5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2,3,4-trihydroxypentyl]-4-hydroxy-7,8-dimethylbenzo[g]pteridin-2-one |
---|
CAS Registry Number | Not Available |
---|
SMILES | CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)COC3OC(CO)C(O)C3O)C3=NC(=O)N=C(O)C3=NC2=C1 |
---|
InChI Identifier | InChI=1S/C22H28N4O10/c1-8-3-10-11(4-9(8)2)26(19-15(23-10)20(33)25-22(34)24-19)5-12(28)16(30)13(29)7-35-21-18(32)17(31)14(6-27)36-21/h3-4,12-14,16-18,21,27-32H,5-7H2,1-2H3,(H,25,33,34)/t12-,13+,14?,16-,17?,18?,21?/m0/s1 |
---|
InChI Key | KPRZMKIRTDUAFR-ZLVKUXRCSA-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 flavins. Flavins are compounds containing a flavin (7,8-dimethyl-benzo[g]pteridine-2,4-dione) moiety, with a structure characterized by an isoalloaxzine tricyclic ring. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organoheterocyclic compounds |
---|
Class | Pteridines and derivatives |
---|
Sub Class | Alloxazines and isoalloxazines |
---|
Direct Parent | Flavins |
---|
Alternative Parents | |
---|
Substituents | - Flavin
- O-glycosyl compound
- Glycosyl compound
- Diazanaphthalene
- Quinoxaline
- Pentose monosaccharide
- Hydroxypyrimidine
- Pyrimidone
- Benzenoid
- Pyrimidine
- Pyrazine
- Monosaccharide
- Heteroaromatic compound
- Tetrahydrofuran
- Secondary alcohol
- Oxacycle
- Azacycle
- Polyol
- Acetal
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Primary alcohol
- 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 | |
---|