Record Information |
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Version | 2.0 |
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Created at | 2024-01-30 04:00:41 UTC |
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Updated at | 2024-09-03 04:19:15 UTC |
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NP-MRD ID | NP0332446 |
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Natural Product DOI | https://doi.org/10.57994/1687 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Citrinin H1 |
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Description | Citrinin H1 belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. Citrinin H1 was first documented in 2017 (PMID: 28074397). Based on a literature review very few articles have been published on Citrinin H1 (PMID: 38286315). |
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Structure | [H]C(=O)O[C@H](C)[C@@H](C)C1=C(C)C(=O)C2=C(OC3=CC(O)=C(C)C4=C3C2O[C@H](C)[C@H]4C)C1=O InChI=1S/C24H26O7/c1-9(13(5)29-8-25)18-12(4)21(27)20-23-19-16(31-24(20)22(18)28)7-15(26)11(3)17(19)10(2)14(6)30-23/h7-10,13-14,23,26H,1-6H3/t9-,10-,13-,14-,23?/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C24H26O7 |
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Average Mass | 426.4650 Da |
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Monoisotopic Mass | 426.16785 Da |
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IUPAC Name | (2R,3S)-3-[(14S,15R)-11-hydroxy-4,12,14,15-tetramethyl-3,6-dioxo-8,16-dioxatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),4,9,11,13(17)-pentaen-5-yl]butan-2-yl formate |
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Traditional Name | (2R,3S)-3-[(14S,15R)-11-hydroxy-4,12,14,15-tetramethyl-3,6-dioxo-8,16-dioxatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),4,9,11,13(17)-pentaen-5-yl]butan-2-yl formate |
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CAS Registry Number | Not Available |
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SMILES | [H]C(=O)O[C@H](C)[C@@H](C)C1=C(C)C(=O)C2=C(OC3=CC(O)=C(C)C4=C3C2O[C@H](C)[C@H]4C)C1=O |
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InChI Identifier | InChI=1S/C24H26O7/c1-9(13(5)29-8-25)18-12(4)21(27)20-23-19-16(31-24(20)22(18)28)7-15(26)11(3)17(19)10(2)14(6)30-23/h7-10,13-14,23,26H,1-6H3/t9-,10-,13-,14-,23?/m1/s1 |
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InChI Key | DPWQFCNWSJVFTQ-PWVPCZLPSA-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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1D NMR | 1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental) | 545103346@qq.com | Nanjing University of Chinese Medicine | Ying Zhang | 2024-05-02 | View Spectrum |
| Predicted Spectra |
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| Not Available | 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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citrinum ZY-2 | | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Benzopyrans |
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Sub Class | 1-benzopyrans |
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Direct Parent | Xanthenes |
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Alternative Parents | |
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Substituents | - Xanthene
- 2-benzopyran
- 1-hydroxy-2-unsubstituted benzenoid
- Benzenoid
- Vinylogous ester
- Carboxylic acid ester
- Ketone
- Carboxylic acid derivative
- Dialkyl ether
- Ether
- Monocarboxylic acid or derivatives
- Oxacycle
- Organic oxide
- Organic oxygen compound
- Organooxygen compound
- Hydrocarbon derivative
- Carbonyl group
- 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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General References | - Ngan NT, Quang TH, Kim KW, Kim HJ, Sohn JH, Kang DG, Lee HS, Kim YC, Oh H: Anti-inflammatory effects of secondary metabolites isolated from the marine-derived fungal strain Penicillium sp. SF-5629. Arch Pharm Res. 2017 Mar;40(3):328-337. doi: 10.1007/s12272-017-0890-5. Epub 2017 Jan 10. [PubMed:28074397 ]
- Zhang Y, Zhang J, Du Q, Wu XM, Chen Y, Tan RX: Citrisorbicillinol, an undescribed hybrid sorbicillinoid with osteogenic activity from Penicillium citrinum ZY-2. Fitoterapia. 2024 Mar;173:105836. doi: 10.1016/j.fitote.2024.105836. Epub 2024 Jan 28. [PubMed:38286315 ]
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