Record Information |
---|
Version | 2.0 |
---|
Created at | 2022-12-22 12:43:32 UTC |
---|
Updated at | 2024-09-03 04:15:18 UTC |
---|
NP-MRD ID | NP0331312 |
---|
Natural Product DOI | https://doi.org/10.57994/0221 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Ircinialactam G |
---|
Description | (3S,7E,11E)-14-[1-(carboxymethyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]-3,7,11-trimethyltetradeca-7,11-dienoic acid belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Ircinialactam G was first documented in 2018 (PMID: 28888966). Based on a literature review very few articles have been published on (3S,7E,11E)-14-[1-(carboxymethyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]-3,7,11-trimethyltetradeca-7,11-dienoic acid. |
---|
Structure | C[C@@H](CCC\C(C)=C\CC\C(C)=C\CCC1=CC(=O)N(CC(O)=O)C1)CC(O)=O InChI=1S/C23H35NO5/c1-17(9-5-11-19(3)13-22(26)27)7-4-8-18(2)10-6-12-20-14-21(25)24(15-20)16-23(28)29/h7,10,14,19H,4-6,8-9,11-13,15-16H2,1-3H3,(H,26,27)(H,28,29)/b17-7+,18-10+/t19-/m0/s1 |
---|
Synonyms | Value | Source |
---|
(3S,7E,11E)-14-[1-(Carboxymethyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]-3,7,11-trimethyltetradeca-7,11-dienoate | Generator |
|
---|
Chemical Formula | C23H35NO5 |
---|
Average Mass | 405.5350 Da |
---|
Monoisotopic Mass | 405.25152 Da |
---|
IUPAC Name | Not Available |
---|
Traditional Name | Not Available |
---|
CAS Registry Number | Not Available |
---|
SMILES | C[C@@H](CCC\C(C)=C\CC\C(C)=C\CCC1=CC(=O)N(CC(O)=O)C1)CC(O)=O |
---|
InChI Identifier | InChI=1S/C23H35NO5/c1-17(9-5-11-19(3)13-22(26)27)7-4-8-18(2)10-6-12-20-14-21(25)24(15-20)16-23(28)29/h7,10,14,19H,4-6,8-9,11-13,15-16H2,1-3H3,(H,26,27)(H,28,29)/b17-7+,18-10+/t19-/m0/s1 |
---|
InChI Key | RRRHZSGMGCCIPP-SNSLKRADSA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2024-05-13 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2024-05-13 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2024-05-13 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2024-05-13 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2024-05-13 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2024-05-13 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2024-05-13 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2024-05-13 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | ROESY 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 (1D, 151 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 (1D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 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 | 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 | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum |
| Predicted Spectra |
---|
|
| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
---|
| Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | Species Name | Source | Reference |
---|
sp. (CMB-01012) | | |
|
---|
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
- Heterocyclic fatty acid
- Branched fatty acid
- Amino fatty acid
- Fatty acyl
- Fatty acid
- Unsaturated fatty acid
- Dicarboxylic acid or derivatives
- Tertiary carboxylic acid amide
- 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
- 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 | |
---|