Record Information |
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Version | 2.0 |
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Created at | 2022-09-09 22:00:51 UTC |
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Updated at | 2022-09-09 22:00:51 UTC |
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NP-MRD ID | NP0291059 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 23-hydroxy-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[10.8.3.2¹¹,¹⁴.0¹,¹³.0⁶,⁸.0⁶,²³.0¹⁵,²⁰]pentacosa-15(20),16,18-triene-21,24-dione |
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Description | AC1LCP8Q belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. 23-hydroxy-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[10.8.3.2¹¹,¹⁴.0¹,¹³.0⁶,⁸.0⁶,²³.0¹⁵,²⁰]pentacosa-15(20),16,18-triene-21,24-dione is found in Strychnos icaja. AC1LCP8Q is a very strong basic compound (based on its pKa). |
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Structure | COC1=CC=CC2=C1N1C3C4C(CC1=O)OCC1OC11CN(C)CCC23C(=O)CC41O InChI=1S/C23H26N2O6/c1-24-7-6-21-12-4-3-5-13(29-2)19(12)25-17(27)8-14-18(20(21)25)22(28,9-15(21)26)23(11-24)16(31-23)10-30-14/h3-5,14,16,18,20,28H,6-11H2,1-2H3 |
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Synonyms | Not Available |
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Chemical Formula | C23H26N2O6 |
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Average Mass | 426.4690 Da |
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Monoisotopic Mass | 426.17909 Da |
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IUPAC Name | 23-hydroxy-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[10.8.3.2¹¹,¹⁴.0¹,¹³.0⁶,⁸.0⁶,²³.0¹⁵,²⁰]pentacosa-15(20),16,18-triene-21,24-dione |
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Traditional Name | 23-hydroxy-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[10.8.3.2¹¹,¹⁴.0¹,¹³.0⁶,⁸.0⁶,²³.0¹⁵,²⁰]pentacosa-15(20),16,18-triene-21,24-dione |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC=CC2=C1N1C3C4C(CC1=O)OCC1OC11CN(C)CCC23C(=O)CC41O |
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InChI Identifier | InChI=1S/C23H26N2O6/c1-24-7-6-21-12-4-3-5-13(29-2)19(12)25-17(27)8-14-18(20(21)25)22(28,9-15(21)26)23(11-24)16(31-23)10-30-14/h3-5,14,16,18,20,28H,6-11H2,1-2H3 |
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InChI Key | HOLCZIHUDPIBPP-UHFFFAOYSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. |
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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 | Carbazoles |
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Direct Parent | Carbazoles |
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Alternative Parents | |
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Substituents | - Carbazole
- Quinolidine
- Anisole
- Alkyl aryl ether
- Oxepane
- Piperidinone
- Delta-lactam
- Aralkylamine
- Piperidine
- Benzenoid
- Tertiary carboxylic acid amide
- Tertiary alcohol
- Cyclic alcohol
- Tertiary aliphatic amine
- Tertiary amine
- Carboxamide group
- Lactam
- Amino acid or derivatives
- Ketone
- Carboxylic acid derivative
- Oxacycle
- Azacycle
- Dialkyl ether
- Oxirane
- Ether
- Organic nitrogen compound
- Alcohol
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Amine
- Organic oxygen compound
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- 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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