Record Information |
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Version | 2.0 |
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Created at | 2022-09-06 04:52:52 UTC |
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Updated at | 2022-09-06 04:52:52 UTC |
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NP-MRD ID | NP0225991 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 5-{2-[(5r,7r)-7-methyl-5-(2-methylprop-1-en-1-yl)-1h,5h,6h-cyclopenta[f]indol-7-yl]ethenyl}-1h-indole |
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Description | 5-{2-[(5R,7R)-7-methyl-5-(2-methylprop-1-en-1-yl)-1H,5H,6H,7H-cyclopenta[f]indol-7-yl]ethenyl}-1H-indole belongs to the class of organic compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. 5-{2-[(5r,7r)-7-methyl-5-(2-methylprop-1-en-1-yl)-1h,5h,6h-cyclopenta[f]indol-7-yl]ethenyl}-1h-indole is found in Raputia praetermissa. Based on a literature review very few articles have been published on 5-{2-[(5R,7R)-7-methyl-5-(2-methylprop-1-en-1-yl)-1H,5H,6H,7H-cyclopenta[f]indol-7-yl]ethenyl}-1H-indole. |
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Structure | CC(C)=C[C@H]1C[C@](C)(C=CC2=CC=C3NC=CC3=C2)C2=C1C=C1C=CNC1=C2 InChI=1S/C26H26N2/c1-17(2)12-21-16-26(3,23-15-25-20(8-11-28-25)14-22(21)23)9-6-18-4-5-24-19(13-18)7-10-27-24/h4-15,21,27-28H,16H2,1-3H3/t21-,26-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C26H26N2 |
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Average Mass | 366.5080 Da |
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Monoisotopic Mass | 366.20960 Da |
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IUPAC Name | 5-{2-[(5R,7R)-7-methyl-5-(2-methylprop-1-en-1-yl)-1H,5H,6H,7H-cyclopenta[f]indol-7-yl]ethenyl}-1H-indole |
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Traditional Name | 5-{2-[(5R,7R)-7-methyl-5-(2-methylprop-1-en-1-yl)-1H,5H,6H-cyclopenta[f]indol-7-yl]ethenyl}-1H-indole |
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CAS Registry Number | Not Available |
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SMILES | CC(C)=C[C@H]1C[C@](C)(C=CC2=CC=C3NC=CC3=C2)C2=C1C=C1C=CNC1=C2 |
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InChI Identifier | InChI=1S/C26H26N2/c1-17(2)12-21-16-26(3,23-15-25-20(8-11-28-25)14-22(21)23)9-6-18-4-5-24-19(13-18)7-10-27-24/h4-15,21,27-28H,16H2,1-3H3/t21-,26-/m0/s1 |
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InChI Key | FAQRBHZNMOOHPZ-LVXARBLLSA-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 indoles. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. |
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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 | Indoles |
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Direct Parent | Indoles |
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Alternative Parents | |
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Substituents | - Indole
- Indane
- Styrene
- Benzenoid
- Heteroaromatic compound
- Pyrrole
- Azacycle
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen 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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