Record Information |
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Version | 2.0 |
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Created at | 2022-09-06 22:50:42 UTC |
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Updated at | 2022-09-06 22:50:42 UTC |
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NP-MRD ID | NP0239279 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (3z)-7,16,18-trichloro-11,22-dihydroxy-4,19,19-trimethyl-8-methylidene-20-oxatetracyclo[11.7.1.1¹⁰,¹⁴.0¹,¹⁶]docosa-3,10,12,14(22)-tetraene-15,21-dione |
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Description | Napyradiomycin C-2 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. (3z)-7,16,18-trichloro-11,22-dihydroxy-4,19,19-trimethyl-8-methylidene-20-oxatetracyclo[11.7.1.1¹⁰,¹⁴.0¹,¹⁶]docosa-3,10,12,14(22)-tetraene-15,21-dione is found in Streptomyces ruber. Based on a literature review very few articles have been published on Napyradiomycin C-2. |
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Structure | C\C1=C\CC23OC(C)(C)C(Cl)CC2(Cl)C(=O)C2=C(O)C(CC(=C)C(Cl)CC1)=C(O)C=C2C3=O InChI=1S/C25H27Cl3O5/c1-12-5-6-16(26)13(2)9-14-17(29)10-15-19(20(14)30)22(32)24(28)11-18(27)23(3,4)33-25(24,8-7-12)21(15)31/h7,10,16,18,29-30H,2,5-6,8-9,11H2,1,3-4H3/b12-7- |
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Synonyms | Not Available |
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Chemical Formula | C25H27Cl3O5 |
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Average Mass | 513.8400 Da |
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Monoisotopic Mass | 512.09241 Da |
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IUPAC Name | (3Z)-7,16,18-trichloro-11,22-dihydroxy-4,19,19-trimethyl-8-methylidene-20-oxatetracyclo[11.7.1.1^{10,14}.0^{1,16}]docosa-3,10,12,14(22)-tetraene-15,21-dione |
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Traditional Name | (3Z)-7,16,18-trichloro-11,22-dihydroxy-4,19,19-trimethyl-8-methylidene-20-oxatetracyclo[11.7.1.1^{10,14}.0^{1,16}]docosa-3,10,12,14(22)-tetraene-15,21-dione |
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CAS Registry Number | Not Available |
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SMILES | C\C1=C\CC23OC(C)(C)C(Cl)CC2(Cl)C(=O)C2=C(O)C(CC(=C)C(Cl)CC1)=C(O)C=C2C3=O |
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InChI Identifier | InChI=1S/C25H27Cl3O5/c1-12-5-6-16(26)13(2)9-14-17(29)10-15-19(20(14)30)22(32)24(28)11-18(27)23(3,4)33-25(24,8-7-12)21(15)31/h7,10,16,18,29-30H,2,5-6,8-9,11H2,1,3-4H3/b12-7- |
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InChI Key | TUASWIIAAPWHMO-GHXNOFRVSA-N |
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Experimental Spectra |
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| Not Available |
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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 |
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Chemical Shift Submissions |
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| Not Available |
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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 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. |
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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 | Naphthopyranones |
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Alternative Parents | |
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Substituents | - Naphthopyranone
- Naphthoquinone
- Naphthalene
- Tetralin
- Quinone
- Aryl alkyl ketone
- Aryl ketone
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Pyranone
- Oxane
- Pyran
- Benzenoid
- Alpha-chloroketone
- Alpha-haloketone
- Vinylogous acid
- Ketone
- Ether
- Dialkyl ether
- Oxacycle
- Alkyl halide
- Hydrocarbon derivative
- Organic oxide
- Alkyl chloride
- Organooxygen compound
- Organochloride
- Organohalogen 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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