Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 00:32:53 UTC |
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Updated at | 2021-07-15 16:46:03 UTC |
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NP-MRD ID | NP0003300 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Cytonic acid B |
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Provided By | NPAtlas |
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Description | Cytonic acid B is also known as cytonate b. Cytonic acid B is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Cytonic acid B is found in Cytonaema sp. It was first documented in 2000 (PMID: 10843568). Based on a literature review very few articles have been published on cytonic acid B (PMID: 26389497) (PMID: 26389486) (PMID: 26389480) (PMID: 26389479). |
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Structure | [H]OC(=O)C1=C(O[H])C([H])=C(OC(=O)C2=C(O[H])C([H])=C(OC(=O)C3=C(O[H])C([H])=C(O[H])C([H])=C3C([H])([H])C([H])([H])C([H])([H])[H])C([H])=C2C([H])([H])C([H])([H])C([H])([H])[H])C([H])=C1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] InChI=1S/C32H36O10/c1-4-7-8-11-20-14-23(16-25(35)27(20)30(37)38)42-32(40)29-19(10-6-3)13-22(17-26(29)36)41-31(39)28-18(9-5-2)12-21(33)15-24(28)34/h12-17,33-36H,4-11H2,1-3H3,(H,37,38) |
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Synonyms | Value | Source |
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Cytonate b | Generator |
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Chemical Formula | Not Available |
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Average Mass | Not Available |
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Monoisotopic Mass | Not Available |
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IUPAC Name | 4-[4-(2,4-dihydroxy-6-propylbenzoyloxy)-2-hydroxy-6-propylbenzoyloxy]-2-hydroxy-6-pentylbenzoic acid |
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Traditional Name | 4-[4-(2,4-dihydroxy-6-propylbenzoyloxy)-2-hydroxy-6-propylbenzoyloxy]-2-hydroxy-6-pentylbenzoic acid |
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CAS Registry Number | Not Available |
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SMILES | CCCCCC1=CC(OC(=O)C2=C(O)C=C(OC(=O)C3=C(O)C=C(O)C=C3CCC)C=C2CCC)=CC(O)=C1C(O)=O |
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InChI Identifier | InChI=1S/C32H36O10/c1-4-7-8-11-20-14-23(16-25(35)27(20)30(37)38)42-32(40)29-19(10-6-3)13-22(17-26(29)36)41-31(39)28-18(9-5-2)12-21(33)15-24(28)34/h12-17,33-36H,4-11H2,1-3H3,(H,37,38) |
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InChI Key | NUJLMXRQKUYQKE-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, 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 | This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Depsides and depsidones |
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Sub Class | Not Available |
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Direct Parent | Depsides and depsidones |
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Alternative Parents | |
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Substituents | - Depside backbone
- P-hydroxybenzoic acid ester
- O-hydroxybenzoic acid ester
- Dihydroxybenzoic acid
- Hydroxybenzoic acid
- Phenol ester
- Salicylic acid or derivatives
- Benzoate ester
- Salicylic acid
- Benzoic acid
- Phenylpropane
- Benzoic acid or derivatives
- Tricarboxylic acid or derivatives
- Resorcinol
- Phenoxy compound
- Benzoyl
- Phenol
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Monocyclic benzene moiety
- Benzenoid
- Vinylogous acid
- Carboxylic acid ester
- Carboxylic acid derivative
- Carboxylic acid
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | |
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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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