Record Information |
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Version | 1.0 |
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Created at | 2022-04-28 06:16:05 UTC |
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Updated at | 2022-04-28 06:16:05 UTC |
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NP-MRD ID | NP0061489 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Altromycin E |
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Description | Methyl (2R)-2-[(2R,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]-2-{2-[(2R,3S)-2,3-dimethyloxiran-2-yl]-11-hydroxy-9-[(2S,4S,5S,6R)-5-{[(2R,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4,6-dimethyl-4-(methylamino)oxan-2-yl]-4,7,12-trioxo-7,12-dihydro-4H-1-oxatetraphen-5-yl}acetate belongs to the class of organic compounds known as naphthopyranone glycosides. Naphthopyranone glycosides are compounds containing a carbohydrate moiety glycosidically linked to a naphthopyranone moiety. Altromycin E is found in AB 1246E-26 (NRRL 18371). Based on a literature review very few articles have been published on methyl (2R)-2-[(2R,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]-2-{2-[(2R,3S)-2,3-dimethyloxiran-2-yl]-11-hydroxy-9-[(2S,4S,5S,6R)-5-{[(2R,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4,6-dimethyl-4-(methylamino)oxan-2-yl]-4,7,12-trioxo-7,12-dihydro-4H-1-oxatetraphen-5-yl}acetate. |
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Structure | CN[C@@]1(C)C[C@H](O[C@H](C)[C@H]1O[C@@H]1C[C@H](OC)[C@H](O)[C@H](C)O1)C1=CC(O)=C2C(=O)C3=C4OC(=CC(=O)C4=C(C=C3C(=O)C2=C1)[C@H]([C@H]1O[C@@H](C)[C@H](O)[C@@H](OC)[C@@H]1O)C(=O)OC)[C@]1(C)O[C@H]1C InChI=1S/C46H57NO17/c1-17-35(50)27(56-8)15-30(60-17)63-43-19(3)59-28(16-45(43,5)47-7)21-11-23-31(25(48)12-21)38(53)33-24(37(23)52)13-22(32-26(49)14-29(62-40(32)33)46(6)20(4)64-46)34(44(55)58-10)41-39(54)42(57-9)36(51)18(2)61-41/h11-14,17-20,27-28,30,34-36,39,41-43,47-48,50-51,54H,15-16H2,1-10H3/t17-,18-,19+,20-,27-,28-,30+,34+,35+,36-,39+,41+,42+,43+,45-,46+/m0/s1 |
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Synonyms | Value | Source |
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Methyl (2R)-2-[(2R,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]-2-{2-[(2R,3S)-2,3-dimethyloxiran-2-yl]-11-hydroxy-9-[(2S,4S,5S,6R)-5-{[(2R,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4,6-dimethyl-4-(methylamino)oxan-2-yl]-4,7,12-trioxo-7,12-dihydro-4H-1-oxatetraphen-5-yl}acetic acid | Generator |
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Chemical Formula | C46H57NO17 |
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Average Mass | 895.9520 Da |
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Monoisotopic Mass | 895.36265 Da |
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IUPAC Name | methyl (2R)-2-[(2R,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]-2-{2-[(2R,3S)-2,3-dimethyloxiran-2-yl]-11-hydroxy-9-[(2S,4S,5S,6R)-5-{[(2R,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4,6-dimethyl-4-(methylamino)oxan-2-yl]-4,7,12-trioxo-7,12-dihydro-4H-1-oxatetraphen-5-yl}acetate |
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Traditional Name | (R)-(methyl [(2R,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]({2-[(2R,3S)-2,3-dimethyloxiran-2-yl]-11-hydroxy-9-[(2S,4S,5S,6R)-5-{[(2R,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4,6-dimethyl-4-(methylamino)oxan-2-yl]-4,7,12-trioxo-1-oxatetraphen-5-yl})acetate) |
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CAS Registry Number | Not Available |
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SMILES | CN[C@@]1(C)C[C@H](O[C@H](C)[C@H]1O[C@@H]1C[C@H](OC)[C@H](O)[C@H](C)O1)C1=CC(O)=C2C(=O)C3=C4OC(=CC(=O)C4=C(C=C3C(=O)C2=C1)[C@H]([C@H]1O[C@@H](C)[C@H](O)[C@@H](OC)[C@@H]1O)C(=O)OC)[C@]1(C)O[C@H]1C |
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InChI Identifier | InChI=1S/C46H57NO17/c1-17-35(50)27(56-8)15-30(60-17)63-43-19(3)59-28(16-45(43,5)47-7)21-11-23-31(25(48)12-21)38(53)33-24(37(23)52)13-22(32-26(49)14-29(62-40(32)33)46(6)20(4)64-46)34(44(55)58-10)41-39(54)42(57-9)36(51)18(2)61-41/h11-14,17-20,27-28,30,34-36,39,41-43,47-48,50-51,54H,15-16H2,1-10H3/t17-,18-,19+,20-,27-,28-,30+,34+,35+,36-,39+,41+,42+,43+,45-,46+/m0/s1 |
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InChI Key | IISVQPDVYGFQCS-PUJBSCMZSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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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 |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as naphthopyranone glycosides. Naphthopyranone glycosides are compounds containing a carbohydrate moiety glycosidically linked to a naphthopyranone moiety. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Naphthopyrans |
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Sub Class | Naphthopyranones |
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Direct Parent | Naphthopyranone glycosides |
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Alternative Parents | |
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Substituents | - Naphthopyranone glycoside
- Anthraquinone
- 9,10-anthraquinone
- Anthracene
- O-glycosyl compound
- Glycosyl compound
- Chromone
- 1-benzopyran
- Benzopyran
- Aryl ketone
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Aralkylamine
- Pyranone
- Benzenoid
- Pyran
- Oxane
- Monosaccharide
- Heteroaromatic compound
- Vinylogous acid
- Methyl ester
- Secondary alcohol
- Ketone
- Carboxylic acid ester
- Amino acid or derivatives
- Oxacycle
- Secondary amine
- Monocarboxylic acid or derivatives
- Ether
- Oxirane
- Secondary aliphatic amine
- Dialkyl ether
- Carboxylic acid derivative
- Acetal
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Amine
- Alcohol
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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