Record Information |
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Version | 2.0 |
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Created at | 2024-04-23 06:02:02 UTC |
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Updated at | 2024-09-03 04:20:26 UTC |
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NP-MRD ID | NP0332839 |
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Natural Product DOI | https://doi.org/10.57994/2114 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (±)-Penindolene C |
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Description | (±)-Penindolene C 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. (±)-Penindolene C was first documented in 2024 (PMID: 38635317). Based on a literature review very few articles have been published on (±)-Penindolene C. |
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Structure | CC(C)(C=C)C1=C(CCN2[C@@H](O)CCC2=O)C2=CC=CC=C2N1 InChI=1S/C19H24N2O2/c1-4-19(2,3)18-14(13-7-5-6-8-15(13)20-18)11-12-21-16(22)9-10-17(21)23/h4-8,16,20,22H,1,9-12H2,2-3H3/t16-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C19H24N2O2 |
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Average Mass | 312.4130 Da |
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Monoisotopic Mass | 312.18378 Da |
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IUPAC Name | (5S)-5-hydroxy-1-{2-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethyl}pyrrolidin-2-one |
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Traditional Name | (5S)-5-hydroxy-1-{2-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethyl}pyrrolidin-2-one |
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CAS Registry Number | Not Available |
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SMILES | CC(C)(C=C)C1=C(CCN2[C@@H](O)CCC2=O)C2=CC=CC=C2N1 |
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InChI Identifier | InChI=1S/C19H24N2O2/c1-4-19(2,3)18-14(13-7-5-6-8-15(13)20-18)11-12-21-16(22)9-10-17(21)23/h4-8,16,20,22H,1,9-12H2,2-3H3/t16-/m0/s1 |
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InChI Key | DGPFSUGNVRYGDD-INIZCTEOSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | m8545303@163.com | Institute of Oceanology, Chinese Academy of Sciences | Linghong Meng | 2024-04-23 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental) | m8545303@163.com | Institute of Oceanology, Chinese Academy of Sciences | Linghong Meng | 2024-04-23 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental) | m8545303@163.com | Institute of Oceanology, Chinese Academy of Sciences | Linghong Meng | 2024-04-23 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental) | m8545303@163.com | Institute of Oceanology, Chinese Academy of Sciences | Linghong Meng | 2024-04-23 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | m8545303@163.com | Institute of Oceanology, Chinese Academy of Sciences | Linghong Meng | 2024-04-23 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental) | m8545303@163.com | Institute of Oceanology, Chinese Academy of Sciences | Linghong Meng | 2024-04-23 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | m8545303@163.com | Institute of Oceanology, Chinese Academy of Sciences | Linghong Meng | 2024-04-23 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental) | m8545303@163.com | Institute of Oceanology, Chinese Academy of Sciences | Linghong Meng | 2024-04-23 | View Spectrum |
| Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Species Name | Source | Reference |
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brocae MA-231 | | |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as indoles. These 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
- Benzenoid
- N-alkylpyrrolidine
- 2-pyrrolidone
- Pyrrolidone
- Heteroaromatic compound
- Tertiary carboxylic acid amide
- Pyrroline
- Pyrrolidine
- Pyrrole
- Lactam
- Carboxamide group
- Amino acid or derivatives
- Azacycle
- Secondary amine
- Secondary aliphatic amine
- Carboxylic acid derivative
- Alkanolamine
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Amine
- 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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