| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-02 17:39:52 UTC |
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| Updated at | 2022-09-02 17:39:52 UTC |
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| NP-MRD ID | NP0159841 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 8-hydroxy-2-(2-hydroxypropan-2-yl)-1h,2h,10h-furo[3,2-a]carbazole-4-carbaldehyde |
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| Description | Furoclausine B belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. 8-hydroxy-2-(2-hydroxypropan-2-yl)-1h,2h,10h-furo[3,2-a]carbazole-4-carbaldehyde is found in Clausena excavata. Based on a literature review very few articles have been published on Furoclausine B. |
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| Structure | CC(C)(O)C1CC2=C(O1)C(C=O)=CC1=C2NC2=C1C=CC(O)=C2 InChI=1S/C18H17NO4/c1-18(2,22)15-7-13-16-12(5-9(8-20)17(13)23-15)11-4-3-10(21)6-14(11)19-16/h3-6,8,15,19,21-22H,7H2,1-2H3 |
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| Synonyms | Not Available |
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| Chemical Formula | C18H17NO4 |
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| Average Mass | 311.3370 Da |
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| Monoisotopic Mass | 311.11576 Da |
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| IUPAC Name | 8-hydroxy-2-(2-hydroxypropan-2-yl)-1H,2H,10H-furo[3,2-a]carbazole-4-carbaldehyde |
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| Traditional Name | 8-hydroxy-2-(2-hydroxypropan-2-yl)-1H,2H,10H-furo[3,2-a]carbazole-4-carbaldehyde |
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| CAS Registry Number | Not Available |
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| SMILES | CC(C)(O)C1CC2=C(O1)C(C=O)=CC1=C2NC2=C1C=CC(O)=C2 |
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| InChI Identifier | InChI=1S/C18H17NO4/c1-18(2,22)15-7-13-16-12(5-9(8-20)17(13)23-15)11-4-3-10(21)6-14(11)19-16/h3-6,8,15,19,21-22H,7H2,1-2H3 |
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| InChI Key | DHBHSDUKZBZOGA-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 | |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Indoles and derivatives |
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| Sub Class | Carbazoles |
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| Direct Parent | Carbazoles |
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| Alternative Parents | |
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| Substituents | - Carbazole
- Hydroxyindole
- Indole
- Coumaran
- Alkyl aryl ether
- Aryl-aldehyde
- 1-hydroxy-2-unsubstituted benzenoid
- Benzenoid
- Pyrrole
- Tertiary alcohol
- Heteroaromatic compound
- Ether
- Azacycle
- Oxacycle
- Hydrocarbon derivative
- Aldehyde
- Organopnictogen compound
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Alcohol
- Organic nitrogen compound
- Organic oxide
- 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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