Record Information |
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Version | 2.0 |
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Created at | 2022-09-11 05:02:23 UTC |
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Updated at | 2022-09-11 05:02:23 UTC |
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NP-MRD ID | NP0310039 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 13-[(4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl)oxy]-23-(dimethylamino)-11,15,22,24-tetrahydroxy-12-methoxy-1,11-dimethyl-20,25-dioxahexacyclo[19.3.1.0²,¹⁹.0⁵,¹⁸.0⁷,¹⁶.0⁹,¹⁴]pentacosa-2(19),3,5(18),7,9(14),15-hexaene-6,17-dione |
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Description | Respinomycin C belongs to the class of organic compounds known as anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage. It was first documented in 1993 (PMID: 8344876). Based on a literature review very few articles have been published on Respinomycin C (PMID: 8344875). |
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Structure | COC1C(OC2C(OC)C(C)(O)CC3=C2C(O)=C2C(=O)C4=C(C=CC5=C4OC4OC5(C)C(O)C(C4O)N(C)C)C(=O)C2=C3)OC(C)C(O)C1(C)O InChI=1S/C36H45NO14/c1-13-28(42)35(3,45)31(47-8)33(48-13)50-27-18-14(12-34(2,44)30(27)46-7)11-16-19(23(18)39)24(40)20-15(22(16)38)9-10-17-26(20)49-32-25(41)21(37(5)6)29(43)36(17,4)51-32/h9-11,13,21,25,27-33,39,41-45H,12H2,1-8H3 |
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Synonyms | Not Available |
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Chemical Formula | C36H45NO14 |
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Average Mass | 715.7490 Da |
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Monoisotopic Mass | 715.28401 Da |
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IUPAC Name | 13-[(4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl)oxy]-23-(dimethylamino)-11,15,22,24-tetrahydroxy-12-methoxy-1,11-dimethyl-20,25-dioxahexacyclo[19.3.1.0^{2,19}.0^{5,18}.0^{7,16}.0^{9,14}]pentacosa-2(19),3,5(18),7,9(14),15-hexaene-6,17-dione |
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Traditional Name | 13-[(4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl)oxy]-23-(dimethylamino)-11,15,22,24-tetrahydroxy-12-methoxy-1,11-dimethyl-20,25-dioxahexacyclo[19.3.1.0^{2,19}.0^{5,18}.0^{7,16}.0^{9,14}]pentacosa-2(19),3,5(18),7,9(14),15-hexaene-6,17-dione |
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CAS Registry Number | Not Available |
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SMILES | COC1C(OC2C(OC)C(C)(O)CC3=C2C(O)=C2C(=O)C4=C(C=CC5=C4OC4OC5(C)C(O)C(C4O)N(C)C)C(=O)C2=C3)OC(C)C(O)C1(C)O |
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InChI Identifier | InChI=1S/C36H45NO14/c1-13-28(42)35(3,45)31(47-8)33(48-13)50-27-18-14(12-34(2,44)30(27)46-7)11-16-19(23(18)39)24(40)20-15(22(16)38)9-10-17-26(20)49-32-25(41)21(37(5)6)29(43)36(17,4)51-32/h9-11,13,21,25,27-33,39,41-45H,12H2,1-8H3 |
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InChI Key | BZFHXAJTVQBODO-UHFFFAOYSA-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, 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 |
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| Not Available | Species |
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Species of Origin | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Anthracyclines |
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Sub Class | Not Available |
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Direct Parent | Anthracyclines |
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Alternative Parents | |
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Substituents | - Anthracycline
- Anthracyclinone-skeleton
- Aminoglycoside core
- Tetracenequinone
- 9,10-anthraquinone
- 1,4-anthraquinone
- Anthracene
- Hexose monosaccharide
- Glycosyl compound
- O-glycosyl compound
- Tetralin
- Aryl ketone
- 1-hydroxy-4-unsubstituted benzenoid
- Aralkylamine
- Amino saccharide
- Monosaccharide
- Benzenoid
- Oxane
- Tertiary alcohol
- Vinylogous acid
- Secondary alcohol
- Tertiary aliphatic amine
- Tertiary amine
- Ketone
- 1,2-aminoalcohol
- Polyol
- Oxacycle
- Dialkyl ether
- Ether
- Organoheterocyclic compound
- Acetal
- Alcohol
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organooxygen compound
- Amine
- Organic nitrogen compound
- Organonitrogen compound
- Organic oxygen compound
- 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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