Record Information |
---|
Version | 1.0 |
---|
Created at | 2022-12-22 12:55:25 UTC |
---|
Updated at | 2024-04-19 09:36:39 UTC |
---|
NP-MRD ID | NP0331316 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | 8-Hydroxyircinialactam G |
---|
Description | (3S,7E)-14-[1-(carboxymethyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]-11-hydroxy-3,7,11-trimethyltetradec-7-enoic acid belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. It was first documented in 2023 (PMID: 37078450). Based on a literature review a significant number of articles have been published on (3S,7E)-14-[1-(carboxymethyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]-11-hydroxy-3,7,11-trimethyltetradec-7-enoic acid (PMID: 37078444) (PMID: 37078443) (PMID: 37078154) (PMID: 37078114) (PMID: 37079959) (PMID: 37079958). |
---|
Structure | C[C@@H](CCC\C(C)=C\CCC(C)(O)CCCC1=CC(=O)N(CC(O)=O)C1)CC(O)=O InChI=1S/C23H37NO6/c1-17(7-4-8-18(2)13-21(26)27)9-5-11-23(3,30)12-6-10-19-14-20(25)24(15-19)16-22(28)29/h9,14,18,30H,4-8,10-13,15-16H2,1-3H3,(H,26,27)(H,28,29)/b17-9+/t18-,23?/m0/s1 |
---|
Synonyms | Value | Source |
---|
(3S,7E)-14-[1-(Carboxymethyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]-11-hydroxy-3,7,11-trimethyltetradec-7-enoate | Generator |
|
---|
Chemical Formula | C23H37NO6 |
---|
Average Mass | 423.5500 Da |
---|
Monoisotopic Mass | 423.26209 Da |
---|
IUPAC Name | Not Available |
---|
Traditional Name | Not Available |
---|
CAS Registry Number | Not Available |
---|
SMILES | C[C@@H](CCC\C(C)=C\CCC(C)(O)CCCC1=CC(=O)N(CC(O)=O)C1)CC(O)=O |
---|
InChI Identifier | InChI=1S/C23H37NO6/c1-17(7-4-8-18(2)13-21(26)27)9-5-11-23(3,30)12-6-10-19-14-20(25)24(15-19)16-22(28)29/h9,14,18,30H,4-8,10-13,15-16H2,1-3H3,(H,26,27)(H,28,29)/b17-9+/t18-,23?/m0/s1 |
---|
InChI Key | BALURIUIBGAQQW-VLKWRAORSA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600.08 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600.08 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150.91 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | Not Available |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Prenol lipids |
---|
Sub Class | Diterpenoids |
---|
Direct Parent | Diterpenoids |
---|
Alternative Parents | |
---|
Substituents | - Diterpenoid
- Long-chain fatty acid
- Alpha-amino acid or derivatives
- Methyl-branched fatty acid
- Hydroxy fatty acid
- Heterocyclic fatty acid
- Branched fatty acid
- Amino fatty acid
- Fatty acyl
- Fatty acid
- Unsaturated fatty acid
- Dicarboxylic acid or derivatives
- Tertiary carboxylic acid amide
- Tertiary alcohol
- Pyrroline
- Lactam
- Carboxamide group
- Azacycle
- Organoheterocyclic compound
- Carboxylic acid
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Alcohol
- Aliphatic heteromonocyclic compound
|
---|
Molecular Framework | Aliphatic heteromonocyclic compounds |
---|
External Descriptors | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | |
---|
General References | - Russi AE, Shivakumar P, Luo Z, Bezerra J: Plasticity between ILC2 subsets and amphiregulin expression regulate epithelial repair in biliary atresia. Hepatology. 2023 Apr 21. doi: 10.1097/HEP.0000000000000418. [PubMed:37078450 ]
- Hlady RA, Robertson KD: Epigenetic memory of environmental exposures as a mediator of liver disease. Hepatology. 2023 Apr 21. doi: 10.1097/HEP.0000000000000414. [PubMed:37078444 ]
- Ufere NN: Home is where the liver is?: moving beyond readmissions to time at home as a patient-centered and pragmatic quality measure in cirrhosis care. Hepatology. 2023 Apr 21. doi: 10.1097/HEP.0000000000000415. [PubMed:37078443 ]
- Arnon R, Rubinov A: [[PTOSIS AS A SIGN OF A SYSTEMIC DISEASE]]. Harefuah. 2023 Feb;162(2):119-121. [PubMed:37078154 ]
- Shemesh N, Olshaker H: [[A MULTICENTER SPANISH STUDY OF ATROPINE 0.01% IN CHILDHOOD MYOPIA PROGRESSION]]. Harefuah. 2023 Feb;162(2):116-118. [PubMed:37078114 ]
- Gonzalez Muriel RM, Garcia Rabanal D, Ramos Pascua LR: [Incidental finding in mechanical gonalgia in a patient with a history of breast cancer]. Semergen. 2023 Jul-Aug;49(5):101978. doi: 10.1016/j.semerg.2023.101978. Epub 2023 Apr 18. [PubMed:37079959 ]
- Vallina Perez JL, Taule Sanchez M, Miguel Fernandez V, Iglesias Aranda Catalan P: [<>]. Semergen. 2023 Jul-Aug;49(5):101974. doi: 10.1016/j.semerg.2023.101974. Epub 2023 Apr 18. [PubMed:37079958 ]
- Samboni-Mendez M, Benavides-Ruiz MM, Piamba-Valencia AM, Sanchez-Duque JA: [Subcutaneous analgesia in elderly palliative home care]. Semergen. 2023 Jul-Aug;49(5):101975. doi: 10.1016/j.semerg.2023.101975. Epub 2023 Apr 18. [PubMed:37079957 ]
- K B C, R H, R A, G JJB, J P D, Banjara SK, M A, K PR, B N, M SP: Macronutrient composition of term and preterm human milk of different socio economic groups. Prostaglandins Leukot Essent Fatty Acids. 2023 May;192:102571. doi: 10.1016/j.plefa.2023.102571. Epub 2023 Mar 30. [PubMed:37079956 ]
- Jyothi VGSS, Veerabomma H, Tryphena KP, Khatri DK, Singh SB, Madan J: Acute and sub-acute dermal toxicity of meloxicam emulgel: Analysis of biochemical, hematological, histopathological and immunohistochemical expression. Biochem Biophys Res Commun. 2023 Jun 11;660:88-95. doi: 10.1016/j.bbrc.2023.04.001. Epub 2023 Apr 11. [PubMed:37079955 ]
|
---|