| Record Information |
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| Version | 2.0 |
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| Created at | 2023-05-05 12:00:57 UTC |
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| Updated at | 2025-02-11 15:45:54 UTC |
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| NP-MRD ID | NP0331616 |
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| Natural Product DOI | https://doi.org/10.57994/0604 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Taichunamide B |
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| Description | Taichunamide B belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Taichunamide B was first documented in 2023 (PMID: 37097072). Based on a literature review very few articles have been published on Taichunamide B. |
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| Structure | [H][C@@]12C[C@@]34CCCN3C(=O)[C@@]1(NC4=O)C1=C(O)C3=C(N=C1C2(C)C)C1=C(OC(C)(C)C=C1)C=C3 InChI=1S/C26H27N3O4/c1-23(2)10-8-13-15(33-23)7-6-14-18(13)27-20-17(19(14)30)26-16(24(20,3)4)12-25(21(31)28-26)9-5-11-29(25)22(26)32/h6-8,10,16H,5,9,11-12H2,1-4H3,(H,27,30)(H,28,31)/t16-,25+,26-/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C26H27N3O4 |
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| Average Mass | 445.5190 Da |
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| Monoisotopic Mass | 445.20016 Da |
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| IUPAC Name | (1S,17S,19R)-3-hydroxy-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0^{1,17}.0^{2,15}.0^{4,13}.0^{7,12}.0^{19,23}]hexacosa-2,4(13),5,7(12),10,14-hexaene-24,26-dione |
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| Traditional Name | (1S,17S,19R)-3-hydroxy-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0^{1,17}.0^{2,15}.0^{4,13}.0^{7,12}.0^{19,23}]hexacosa-2,4(13),5,7(12),10,14-hexaene-24,26-dione |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@]12C[C@@]34CCCN3C(=O)[C@@]1(NC4=O)C1=C(O)C3=C(N=C1C2(C)C)C1=C(OC(C)(C)C=C1)C=C3 |
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| InChI Identifier | InChI=1S/C26H27N3O4/c1-23(2)10-8-13-15(33-23)7-6-14-18(13)27-20-17(19(14)30)26-16(24(20,3)4)12-25(21(31)28-26)9-5-11-29(25)22(26)32/h6-8,10,16H,5,9,11-12H2,1-4H3,(H,27,30)(H,28,31)/t16-,25+,26-/m0/s1 |
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| InChI Key | XOCPYXYLNOINHV-HKFLSJHISA-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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| | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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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, 400, C3D6O, simulated) | zhangcuixian@gzucm.edu.cn | guangzhou university of Chinese medicine | zhangcuixian | 2024-05-11 | View Spectrum |
| | Species |
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| Species of Origin | | Species Name | Source | Reference |
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| Aspergillus versicolor CGF 9-1-2 | | |
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| Chemical Taxonomy |
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| Description | This compound 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
- Chromenopyridine
- N-acyl-alpha amino acid or derivatives
- 2,2-dimethyl-1-benzopyran
- Pyridinylpiperazine
- Alpha-amino acid amide
- 1-benzopyran
- Quinoline
- Benzopyran
- Azaspirodecane
- Alpha-amino acid or derivatives
- Piperidinecarboxamide
- 2-piperidinecarboxamide
- Indolizidine
- Polyhalopyridine
- 2,5-dioxopiperazine
- Pyrrolidine-2-carboxamide
- Pyrrolidine carboxylic acid or derivatives
- N-acylpyrrolidine
- Dioxopiperazine
- 2-halopyridine
- Methylpyridine
- Hydroxypyridine
- N-alkylpiperazine
- Piperidinone
- Delta-lactam
- Alkyl aryl ether
- Fatty acyl
- Benzenoid
- Pyridine
- Pyran
- Piperidine
- Piperazine
- N-acyl-amine
- Fatty amide
- 1,4-diazinane
- Heteroaromatic compound
- Tertiary carboxylic acid amide
- Secondary ketimine
- Pyrrolidine
- Lactam
- Ketimine
- Carboxamide group
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Ether
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Imine
- 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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