| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-12 01:16:50 UTC |
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| Updated at | 2022-09-12 01:16:51 UTC |
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| NP-MRD ID | NP0322484 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 22-hydroxy-11,21,23-trimethyl-24-oxa-20-azahexacyclo[19.3.1.0²,¹⁹.0⁵,¹⁸.0⁷,¹⁶.0⁸,¹³]pentacosa-2(19),3,5(18),7,9,11,13,15-octaene-6,17-dione |
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| Description | 22-Hydroxy-11,21,23-trimethyl-24-oxa-20-azahexacyclo[19.3.1.0²,¹⁹.0⁵,¹⁸.0⁷,¹⁶.0⁸,¹³]Pentacosa-2(19),3,5(18),7(16),8(13),9,11,14-octaene-6,17-dione belongs to the class of organic compounds known as angucyclines. These are polyketides with a structure based on then benz[a]anthracene skeleton, with the particularity that the central ring of the anthracene moiety is a para-quinone. Based on a literature review very few articles have been published on 22-hydroxy-11,21,23-trimethyl-24-oxa-20-azahexacyclo[19.3.1.0²,¹⁹.0⁵,¹⁸.0⁷,¹⁶.0⁸,¹³]Pentacosa-2(19),3,5(18),7(16),8(13),9,11,14-octaene-6,17-dione. |
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| Structure | CC1OC2CC(C)(NC3=C2C=CC2=C3C(=O)C3=C(C2=O)C2=CC=C(C)C=C2C=C3)C1O InChI=1S/C26H23NO4/c1-12-4-6-15-14(10-12)5-7-17-20(15)23(28)18-9-8-16-19-11-26(3,25(30)13(2)31-19)27-22(16)21(18)24(17)29/h4-10,13,19,25,27,30H,11H2,1-3H3 |
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| Synonyms | Not Available |
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| Chemical Formula | C26H23NO4 |
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| Average Mass | 413.4730 Da |
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| Monoisotopic Mass | 413.16271 Da |
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| IUPAC Name | 22-hydroxy-11,21,23-trimethyl-24-oxa-20-azahexacyclo[19.3.1.0^{2,19}.0^{5,18}.0^{7,16}.0^{8,13}]pentacosa-2(19),3,5(18),7(16),8,10,12,14-octaene-6,17-dione |
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| Traditional Name | 22-hydroxy-11,21,23-trimethyl-24-oxa-20-azahexacyclo[19.3.1.0^{2,19}.0^{5,18}.0^{7,16}.0^{8,13}]pentacosa-2(19),3,5(18),7(16),8,10,12,14-octaene-6,17-dione |
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| CAS Registry Number | Not Available |
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| SMILES | CC1OC2CC(C)(NC3=C2C=CC2=C3C(=O)C3=C(C2=O)C2=CC=C(C)C=C2C=C3)C1O |
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| InChI Identifier | InChI=1S/C26H23NO4/c1-12-4-6-15-14(10-12)5-7-17-20(15)23(28)18-9-8-16-19-11-26(3,25(30)13(2)31-19)27-22(16)21(18)24(17)29/h4-10,13,19,25,27,30H,11H2,1-3H3 |
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| InChI Key | DIIFOOCBJPITQV-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 angucyclines. These are polyketides with a structure based on then benz[a]anthracene skeleton, with the particularity that the central ring of the anthracene moiety is a para-quinone. |
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| Kingdom | Organic compounds |
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| Super Class | Phenylpropanoids and polyketides |
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| Class | Angucyclines |
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| Sub Class | Not Available |
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| Direct Parent | Angucyclines |
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| Alternative Parents | |
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| Substituents | - Angucycline core
- 9,10-anthraquinone
- Anthraquinone
- Anthracene
- Phenanthrene
- Tetrahydroquinoline
- Aryl ketone
- Aralkylamine
- Secondary aliphatic/aromatic amine
- Oxane
- Benzenoid
- Vinylogous amide
- 1,2-aminoalcohol
- Ketone
- Secondary alcohol
- Dialkyl ether
- Ether
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Secondary amine
- Alcohol
- Organic nitrogen compound
- Amine
- Organic oxygen compound
- Organonitrogen compound
- Organooxygen compound
- Organic oxide
- Hydrocarbon derivative
- 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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