| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-04 07:56:07 UTC |
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| Updated at | 2022-09-04 07:56:07 UTC |
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| NP-MRD ID | NP0191103 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 1,10,13,15,16-pentahydroxy-8-methoxy-3-methyl-6,7,10,11,12,13-hexahydro-9-oxa-2-azahexaphen-14-one |
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| Description | 1,10,13,15,16-Pentahydroxy-8-methoxy-3-methyl-7,10,11,12,13,14-hexahydro-6H-9-oxa-2-azahexaphen-14-one belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. Based on a literature review very few articles have been published on 1,10,13,15,16-pentahydroxy-8-methoxy-3-methyl-7,10,11,12,13,14-hexahydro-6H-9-oxa-2-azahexaphen-14-one. |
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| Structure | COC1=C2OC3=C(C(O)CCC3O)C(=O)C2=C(O)C2=C1CCC1=C2C(O)=C2C(O)=NC(C)=CC2=C1 InChI=1S/C26H23NO8/c1-9-7-11-8-10-3-4-12-17(15(10)20(30)16(11)26(33)27-9)21(31)19-22(32)18-13(28)5-6-14(29)24(18)35-25(19)23(12)34-2/h7-8,13-14,28-31H,3-6H2,1-2H3,(H,27,33) |
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| Synonyms | Not Available |
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| Chemical Formula | C26H23NO8 |
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| Average Mass | 477.4690 Da |
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| Monoisotopic Mass | 477.14237 Da |
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| IUPAC Name | 1,10,13,15,16-pentahydroxy-8-methoxy-3-methyl-7,10,11,12,13,14-hexahydro-6H-9-oxa-2-azahexaphen-14-one |
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| Traditional Name | 1,10,13,15,16-pentahydroxy-8-methoxy-3-methyl-6,7,10,11,12,13-hexahydro-9-oxa-2-azahexaphen-14-one |
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| CAS Registry Number | Not Available |
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| SMILES | COC1=C2OC3=C(C(O)CCC3O)C(=O)C2=C(O)C2=C1CCC1=C2C(O)=C2C(O)=NC(C)=CC2=C1 |
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| InChI Identifier | InChI=1S/C26H23NO8/c1-9-7-11-8-10-3-4-12-17(15(10)20(30)16(11)26(33)27-9)21(31)19-22(32)18-13(28)5-6-14(29)24(18)35-25(19)23(12)34-2/h7-8,13-14,28-31H,3-6H2,1-2H3,(H,27,33) |
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| InChI Key | ZDXPKADCJMJMCQ-UHFFFAOYSA-N |
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| Experimental Spectra |
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| Not Available | | 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 | Not Available |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through 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 | Xanthones |
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| Alternative Parents | |
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| Substituents | - Xanthone
- Naphthopyranone
- Phenanthrene
- Naphthopyran
- 1-naphthol
- Chromone
- Naphthalene
- Isoquinoline
- Anisole
- 1-hydroxy-4-unsubstituted benzenoid
- Methylpyridine
- Hydroxypyridine
- Pyranone
- Alkyl aryl ether
- Benzenoid
- Pyridine
- Pyran
- Heteroaromatic compound
- Vinylogous acid
- Secondary alcohol
- Oxacycle
- Azacycle
- Polyol
- Ether
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Alcohol
- 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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