Record Information |
---|
Version | 1.0 |
---|
Created at | 2020-12-09 00:38:52 UTC |
---|
Updated at | 2021-07-15 16:46:14 UTC |
---|
NP-MRD ID | NP0003365 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Viriditin |
---|
Provided By | NPAtlas |
---|
Description | (2E,4E,6E)-8-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-6-methyldodeca-2,4,6-trien-1-one belongs to the class of organic compounds known as n-acylpyrrolidines. These are n-Acylated Pyrrolidine derivatives. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. Viriditin is found in Aspergillus and Aspergillus viridinutans. It was first documented in 2000 (PMID: 10924177). Based on a literature review very few articles have been published on (2E,4E,6E)-8-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-6-methyldodeca-2,4,6-trien-1-one. |
---|
Structure | [H]OC([H])([H])[C@@]1([H])N(C(=O)C([H])=C([H])C(\[H])=C(/[H])\C(=C(/[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])\C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H] InChI=1S/C18H29NO3/c1-3-4-10-17(21)13-15(2)8-5-6-11-18(22)19-12-7-9-16(19)14-20/h5-6,8,11,13,16-17,20-21H,3-4,7,9-10,12,14H2,1-2H3/b8-5+,11-6?,15-13+/t16-,17-/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C18H29NO3 |
---|
Average Mass | 307.4340 Da |
---|
Monoisotopic Mass | 307.21474 Da |
---|
IUPAC Name | (4E,6E,8S)-8-hydroxy-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-methyldodeca-2,4,6-trien-1-one |
---|
Traditional Name | (4E,6E,8S)-8-hydroxy-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-methyldodeca-2,4,6-trien-1-one |
---|
CAS Registry Number | Not Available |
---|
SMILES | CCCCC(O)\C=C(/C)\C=C\C=C\C(=O)N1CCCC1CO |
---|
InChI Identifier | InChI=1S/C18H29NO3/c1-3-4-10-17(21)13-15(2)8-5-6-11-18(22)19-12-7-9-16(19)14-20/h5-6,8,11,13,16-17,20-21H,3-4,7,9-10,12,14H2,1-2H3/b8-5+,11-6+,15-13+ |
---|
InChI Key | DBHVIZGJTLWNTC-WBYPDZADSA-N |
---|
Experimental Spectra |
---|
|
| Not Available | Predicted Spectra |
---|
|
| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | |
---|
Species Where Detected | |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as n-acylpyrrolidines. These are n-Acylated Pyrrolidine derivatives. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organoheterocyclic compounds |
---|
Class | Pyrrolidines |
---|
Sub Class | N-acylpyrrolidines |
---|
Direct Parent | N-acylpyrrolidines |
---|
Alternative Parents | |
---|
Substituents | - N-acylpyrrolidine
- Tertiary carboxylic acid amide
- Carboxamide group
- Secondary alcohol
- Carboxylic acid derivative
- Azacycle
- Alcohol
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- Organic oxygen compound
- Organic nitrogen 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 | |
---|