Record Information |
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Version | 2.0 |
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Created at | 2024-09-16 04:59:24 UTC |
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Updated at | 2024-09-25 11:24:33 UTC |
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NP-MRD ID | NP0341812 |
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Natural Product DOI | https://doi.org/10.57994/3298 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | paraisariamide G |
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Description | Paraisariamide G belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. It was first documented in 2023 (PMID: 39298731). Based on a literature review a significant number of articles have been published on paraisariamide G (PMID: 39298828) (PMID: 39298825) (PMID: 39298797) (PMID: 39298792). |
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Structure | [H][C@@]1(NC(=O)[C@@H](C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](C)N(C)C(=O)[C@]([H])(NC1=O)[C@@H](C)CC)[C@@H](C)CC InChI=1S/C40H65N7O7/c1-14-24(5)32-36(50)43-33(25(6)15-2)40(54)46(12)28(9)38(52)47(13)31(22-29-19-17-16-18-20-29)35(49)41-30(21-23(3)4)39(53)45(11)27(8)37(51)44(10)26(7)34(48)42-32/h16-20,23-28,30-33H,14-15,21-22H2,1-13H3,(H,41,49)(H,42,48)(H,43,50)/t24-,25-,26+,27-,28-,30-,31-,32+,33+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C40H65N7O7 |
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Average Mass | 756.0020 Da |
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Monoisotopic Mass | 755.49455 Da |
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IUPAC Name | (3S,6S,9S,12S,15R,18R,21R)-9-benzyl-15,18-bis[(2S)-butan-2-yl]-1,3,4,10,12,13,21-heptamethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosane-2,5,8,11,14,17,20-heptone |
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Traditional Name | (3S,6S,9S,12S,15R,18R,21R)-9-benzyl-15,18-bis[(2S)-butan-2-yl]-1,3,4,10,12,13,21-heptamethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosane-2,5,8,11,14,17,20-heptone |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]1(NC(=O)[C@@H](C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](C)N(C)C(=O)[C@]([H])(NC1=O)[C@@H](C)CC)[C@@H](C)CC |
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InChI Identifier | InChI=1S/C40H65N7O7/c1-14-24(5)32-36(50)43-33(25(6)15-2)40(54)46(12)28(9)38(52)47(13)31(22-29-19-17-16-18-20-29)35(49)41-30(21-23(3)4)39(53)45(11)27(8)37(51)44(10)26(7)34(48)42-32/h16-20,23-28,30-33H,14-15,21-22H2,1-13H3,(H,41,49)(H,42,48)(H,43,50)/t24-,25-,26+,27-,28-,30-,31-,32+,33+/m0/s1 |
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InChI Key | VVBIMNUFJIBVOA-YVCSWNEXSA-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, 800 MHz, C2D6OS, experimental) | rmtehan@utica.edu | Utica University, Oregon State University | Richard Tehan | 2024-09-16 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental) | rmtehan@utica.edu | Utica University, Oregon State University | Richard Tehan | 2024-09-16 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental) | rmtehan@utica.edu | Utica University, Oregon State University | Richard Tehan | 2024-09-16 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental) | rmtehan@utica.edu | Utica University, Oregon State University | Richard Tehan | 2024-09-16 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, C2D6OS, experimental) | rmtehan@utica.edu | Utica University, Oregon State University | Richard Tehan | 2024-09-16 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, CDCl3, experimental) | rmtehan@utica.edu | Utica University, Oregon State University | Richard Tehan | 2024-09-16 | 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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insignis | | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Amino acids, peptides, and analogues |
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Direct Parent | Oligopeptides |
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Alternative Parents | |
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Substituents | - Alpha-oligopeptide
- Leucine or derivatives
- Isoleucine or derivatives
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid amide
- Alanine or derivatives
- Alpha-amino acid or derivatives
- N-substituted-alpha-amino acid
- Fatty acyl
- Benzenoid
- N-acyl-amine
- Fatty amide
- Monocyclic benzene moiety
- Tertiary carboxylic acid amide
- Lactam
- Carboxamide group
- Azacycle
- Organoheterocyclic compound
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic 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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General References | - Lutfi A, Eustace D, McKee B, Faul S, Greene RA, Higgins JR: Early feasibility and usability study of a novel obstetric blood loss quantifying device. Eur J Obstet Gynecol Reprod Biol. 2024 Sep 14;302:190-195. doi: 10.1016/j.ejogrb.2024.09.018. [PubMed:39298828 ]
- Wu D, Li H, Wang L, Hu Y, Huang H, Li J, Yang Y, Wu X, Ye X, Mao R, Li J, Shi X, Xie C, Yang C: Echinocystic acid inhibits sepsis-associated renal inflammation and apoptosis by targeting protein tyrosine phosphatase 1B. Int Immunopharmacol. 2024 Sep 18;142(Pt B):113076. doi: 10.1016/j.intimp.2024.113076. [PubMed:39298825 ]
- Saca VR, Burdette C, Sakmar TP: GPCR Biosensors to Study Conformational Dynamics and Signaling in Drug Discovery. Annu Rev Pharmacol Toxicol. 2024 Sep 19. doi: 10.1146/annurev-pharmtox-061724-080836. [PubMed:39298797 ]
- Kwak M Kwak, Succi PJ, Benitez B, Mitchinson CJ, Bergstrom HC: The effects of sex and contraction intensity on fatigability and muscle oxygenation in trained individuals. Appl Physiol Nutr Metab. 2024 Sep 19. doi: 10.1139/apnm-2024-0181. [PubMed:39298792 ]
- Ashkenazy N, Harbour JW, Dubovy SR, Albini TA, Sridhar J, Patel N, Hansen ED, Uchiyama E, Rubsamen PE, Correa ZM: Vitreous metastasis from cutaneous melanoma: diagnosis and management. Arq Bras Oftalmol. 2023 Apr 17;87(5):e20220215. doi: 10.5935/0004-2749.2022-0215. eCollection 2023. [PubMed:39298731 ]
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