Record Information |
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Version | 2.0 |
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Created at | 2024-02-22 00:06:39 UTC |
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Updated at | 2024-09-03 04:19:32 UTC |
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NP-MRD ID | NP0332533 |
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Natural Product DOI | https://doi.org/10.57994/1789 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Prisconnatanone Q |
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Description | Prisconnatanone Q belongs to the class of organic compounds known as hydroxyanthraquinones. Hydroxyanthraquinones are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group. Prisconnatanone Q was first documented in 2024 (PMID: 38307313). Based on a literature review very few articles have been published on Prisconnatanone Q. |
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Structure | COC1=CC=C2C(=O)C3=C(C[C@@H](O)[C@@](C)(O)C3)C(=O)C2=C1OC InChI=1S/C17H18O6/c1-17(21)7-10-9(6-12(17)18)15(20)13-8(14(10)19)4-5-11(22-2)16(13)23-3/h4-5,12,18,21H,6-7H2,1-3H3/t12-,17+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C17H18O6 |
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Average Mass | 318.3250 Da |
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Monoisotopic Mass | 318.11034 Da |
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IUPAC Name | (2S,3R)-2,3-dihydroxy-5,6-dimethoxy-2-methyl-1,2,3,4,9,10-hexahydroanthracene-9,10-dione |
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Traditional Name | (6S,7R)-6,7-dihydroxy-1,2-dimethoxy-6-methyl-7,8-dihydro-5H-anthracene-9,10-dione |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC=C2C(=O)C3=C(C[C@@H](O)[C@@](C)(O)C3)C(=O)C2=C1OC |
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InChI Identifier | InChI=1S/C17H18O6/c1-17(21)7-10-9(6-12(17)18)15(20)13-8(14(10)19)4-5-11(22-2)16(13)23-3/h4-5,12,18,21H,6-7H2,1-3H3/t12-,17+/m1/s1 |
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InChI Key | UYGHIBWQCFSVMK-PXAZEXFGSA-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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HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-05-02 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-05-02 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-05-02 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-05-02 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 101 MHz, CD3OD, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-05-02 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 101 MHz, CD3OD, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-05-02 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CD3OD, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-02-22 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CD3OD, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-02-22 | 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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tetrandra | | |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as hydroxyanthraquinones. These are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Anthracenes |
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Sub Class | Anthraquinones |
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Direct Parent | Hydroxyanthraquinones |
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Alternative Parents | |
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Substituents | - Hydroxyanthraquinone
- Naphthalene
- Aryl ketone
- Quinone
- Quinomethane
- O-quinomethane
- M-quinomethane
- Anisole
- Cyclohexenone
- Alkyl aryl ether
- Alpha-branched alpha,beta-unsaturated-ketone
- Alpha,beta-unsaturated ketone
- Tertiary alcohol
- Enone
- Acryloyl-group
- Secondary alcohol
- Ketone
- Ether
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aromatic homopolycyclic compound
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Molecular Framework | Aromatic homopolycyclic 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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