Record Information |
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Version | 2.0 |
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Created at | 2023-01-12 04:09:55 UTC |
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Updated at | 2024-09-03 04:15:44 UTC |
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NP-MRD ID | NP0331433 |
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Natural Product DOI | https://doi.org/10.57994/0381 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Noonindole B |
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Description | Noonindole B belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Noonindole B was first documented in 2022 (PMID: 36355021). Based on a literature review very few articles have been published on Noonindole B. |
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Structure | [H][C@]12CC3=C(NC4=CC=CC=C34)[C@]1(C)[C@@]1(C)CC[C@]3([H])O[C@@]([H])(C(=O)C=C3[C@]1(O)[C@H](C2)OC(=O)[C@@H](NC)C(C)C)C(C)(C)O InChI=1S/C33H44N2O6/c1-17(2)26(34-7)29(37)41-25-15-18-14-20-19-10-8-9-11-22(19)35-27(20)32(18,6)31(5)13-12-24-21(33(25,31)39)16-23(36)28(40-24)30(3,4)38/h8-11,16-18,24-26,28,34-35,38-39H,12-15H2,1-7H3/t18-,24+,25+,26+,28+,31-,32-,33+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C33H44N2O6 |
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Average Mass | 564.7230 Da |
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Monoisotopic Mass | 564.31994 Da |
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IUPAC Name | (1S,2R,5S,7R,11S,12S,14R)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-8-oxo-6-oxa-23-azahexacyclo[12.10.0.0^{2,11}.0^{5,10}.0^{16,24}.0^{17,22}]tetracosa-9,16(24),17,19,21-pentaen-12-yl (2S)-3-methyl-2-(methylamino)butanoate |
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Traditional Name | (1S,2R,5S,7R,11S,12S,14R)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-8-oxo-6-oxa-23-azahexacyclo[12.10.0.0^{2,11}.0^{5,10}.0^{16,24}.0^{17,22}]tetracosa-9,16(24),17,19,21-pentaen-12-yl (2S)-3-methyl-2-(methylamino)butanoate |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12CC3=C(NC4=CC=CC=C34)[C@]1(C)[C@@]1(C)CC[C@]3([H])O[C@@]([H])(C(=O)C=C3[C@]1(O)[C@H](C2)OC(=O)[C@@H](NC)C(C)C)C(C)(C)O |
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InChI Identifier | InChI=1S/C33H44N2O6/c1-17(2)26(34-7)29(37)41-25-15-18-14-20-19-10-8-9-11-22(19)35-27(20)32(18,6)31(5)13-12-24-21(33(25,31)39)16-23(36)28(40-24)30(3,4)38/h8-11,16-18,24-26,28,34-35,38-39H,12-15H2,1-7H3/t18-,24+,25+,26+,28+,31-,32-,33+/m1/s1 |
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InChI Key | CLZXDXCNPKCYBU-AHWAWKEMSA-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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HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2024-05-11 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2024-05-11 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2024-05-11 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2024-05-11 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2023-01-12 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2023-01-12 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2023-01-12 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2023-01-12 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2023-01-12 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2023-01-12 | 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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noonimiae | | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Diterpenoids |
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Direct Parent | Diterpenoids |
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Alternative Parents | |
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Substituents | - Diterpenoid
- Naphthopyran
- Valine or derivatives
- Alpha-amino acid ester
- Naphthalene
- Alpha-amino acid or derivatives
- Indole or derivatives
- Indole
- B'-hydroxy-alpha,beta-unsaturated-ketone
- Fatty acid ester
- Dihydropyranone
- Fatty acyl
- Benzenoid
- Pyran
- Monosaccharide
- Beta-hydroxy ketone
- Heteroaromatic compound
- Alpha,beta-unsaturated ketone
- Tertiary alcohol
- Pyrroline
- Pyrrole
- Enone
- Cyclic alcohol
- Acryloyl-group
- Cyclic ketone
- Ketone
- Carboxylic acid ester
- Amino acid or derivatives
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Secondary amine
- Monocarboxylic acid or derivatives
- Ether
- Secondary aliphatic amine
- Dialkyl ether
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Amine
- 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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