Record Information |
---|
Version | 1.0 |
---|
Created at | 2020-12-09 00:33:00 UTC |
---|
Updated at | 2021-07-15 16:46:05 UTC |
---|
NP-MRD ID | NP0003312 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Fellutanine D |
---|
Provided By | NPAtlas |
---|
Description | (1R,4S,12R,14S,17R,25S)-12,25-dihydroxy-4,17-bis(2-methylbut-3-en-2-yl)-3,5,16,18-tetraazaheptacyclo[14.10.0.0³,¹⁴.0⁴,¹².0⁶,¹¹.0¹⁷,²⁵.0¹⁹,²⁴]Hexacosa-6,8,10,19,21,23-hexaene-2,15-dione belongs to the class of organic compounds known as pyrroloindoles. Pyrroloindoles are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. Fellutanine D is found in Nannizzia gypsea var. incurvata IFO 9228, Penicillium dierckxii and Penicillium fellutanum. It was first documented in 2000 (PMID: 10843594). Based on a literature review very few articles have been published on (1R,4S,12R,14S,17R,25S)-12,25-dihydroxy-4,17-bis(2-methylbut-3-en-2-yl)-3,5,16,18-tetraazaheptacyclo[14.10.0.0³,¹⁴.0⁴,¹².0⁶,¹¹.0¹⁷,²⁵.0¹⁹,²⁴]Hexacosa-6,8,10,19,21,23-hexaene-2,15-dione (PMID: 34380192) (PMID: 34380191) (PMID: 34380190) (PMID: 34380189). |
---|
Structure | [H]O[C@]12C3=C([H])C([H])=C([H])C([H])=C3N([H])[C@]1(N1C(=O)[C@]3([H])N(C(=O)[C@]1([H])C2([H])[H])[C@]1(N([H])C2=C([H])C([H])=C([H])C([H])=C2[C@@]1(O[H])C3([H])[H])C(C([H])=C([H])[H])(C([H])([H])[H])C([H])([H])[H])C(C([H])=C([H])[H])(C([H])([H])[H])C([H])([H])[H] InChI=1S/C32H36N4O4/c1-7-27(3,4)31-29(39,19-13-9-11-15-21(19)33-31)17-23-26(38)36-24(25(37)35(23)31)18-30(40)20-14-10-12-16-22(20)34-32(30,36)28(5,6)8-2/h7-16,23-24,33-34,39-40H,1-2,17-18H2,3-6H3/t23-,24+,29+,30-,31-,32+ |
---|
Synonyms | Not Available |
---|
Chemical Formula | Not Available |
---|
Average Mass | Not Available |
---|
Monoisotopic Mass | Not Available |
---|
IUPAC Name | (1R,4S,12R,14S,17R,25S)-12,25-dihydroxy-4,17-bis(2-methylbut-3-en-2-yl)-3,5,16,18-tetraazaheptacyclo[14.10.0.0^{3,14}.0^{4,12}.0^{6,11}.0^{17,25}.0^{19,24}]hexacosa-6,8,10,19,21,23-hexaene-2,15-dione |
---|
Traditional Name | (1R,4S,12R,14S,17R,25S)-12,25-dihydroxy-4,17-bis(2-methylbut-3-en-2-yl)-3,5,16,18-tetraazaheptacyclo[14.10.0.0^{3,14}.0^{4,12}.0^{6,11}.0^{17,25}.0^{19,24}]hexacosa-6,8,10,19,21,23-hexaene-2,15-dione |
---|
CAS Registry Number | Not Available |
---|
SMILES | CC(C)(C=C)[C@]12NC3=CC=CC=C3[C@@]1(O)C[C@H]1N2C(=O)[C@@H]2C[C@@]3(O)C4=CC=CC=C4N[C@]3(N2C1=O)C(C)(C)C=C |
---|
InChI Identifier | InChI=1S/C32H36N4O4/c1-7-27(3,4)31-29(39,19-13-9-11-15-21(19)33-31)17-23-26(38)36-24(25(37)35(23)31)18-30(40)20-14-10-12-16-22(20)34-32(30,36)28(5,6)8-2/h7-16,23-24,33-34,39-40H,1-2,17-18H2,3-6H3/t23-,24+,29+,30-,31-,32+ |
---|
InChI Key | CXDDBHFLLPBKRS-LXLBRPCYSA-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 | |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as pyrroloindoles. Pyrroloindoles are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organoheterocyclic compounds |
---|
Class | Indoles and derivatives |
---|
Sub Class | Pyrroloindoles |
---|
Direct Parent | Pyrroloindoles |
---|
Alternative Parents | |
---|
Substituents | - Pyrroloindole
- Alpha-amino acid or derivatives
- Indole
- Dihydroindole
- Dioxopiperazine
- 2,5-dioxopiperazine
- N-alkylpiperazine
- 1,4-diazinane
- Piperazine
- Benzenoid
- Pyrrolidine
- Pyrrole
- Tertiary carboxylic acid amide
- Tertiary alcohol
- Carboxamide group
- Lactam
- Azacycle
- Carboxylic acid derivative
- Amine
- Organic oxide
- Organic oxygen compound
- Alcohol
- Hydrocarbon derivative
- Organonitrogen compound
- Carbonyl group
- Organooxygen compound
- Organic nitrogen compound
- Aromatic heteropolycyclic compound
|
---|
Molecular Framework | Aromatic heteropolycyclic 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 | - Kozlovsky AG, Vinokurova NG, Adanin VM, Burkhardt G, Dahse HM, Grafe U: New diketopiperazine alkaloids from Penicillium fellutanum. J Nat Prod. 2000 May;63(5):698-700. doi: 10.1021/np9903853. [PubMed:10843594 ]
- Kim S, Park KY, Chung J, Kim YB, Lee JW, Huh SK: Comparative Analysis of Feasibility of the Retrograde Suction Decompression Technique for Microsurgical Treatment of Large and Giant Internal Carotid Artery Aneurysms. J Korean Neurosurg Soc. 2021 Aug 12. pii: jkns.2021.0066. doi: 10.3340/jkns.2021.0066. [PubMed:34380192 ]
- Bahloul M, Kharrat S, Chtara K, Hafdhi M, Turki O, Baccouche N, Ammar R, Kallel N, Hsairi M, Chakroun-Walha O, Hamida CB, Chelly H, Mahfoudh KB, Karoui A, Karray H, Rekik N, Bouaziz M: Clinical characteristics and outcomes of critically ill COVID-19 patients in Sfax, Tunisia. Acute Crit Care. 2021 Aug 12. pii: acc.2021.00129. doi: 10.4266/acc.2021.00129. [PubMed:34380191 ]
- Yi J, Kim KH: Identification and infection control of carbapenem-resistant Enterobacterales in intensive care units. Acute Crit Care. 2021 Aug 12. pii: acc.2021.00409. doi: 10.4266/acc.2021.00409. [PubMed:34380190 ]
- Lee Y, Kim SH, Hwang HY, Sohn SH, Choi JW, Kim KH: Perfusion parameters during cardiopulmonary bypass as a predictor of acute kidney injury after aortic valve replacement. Acute Crit Care. 2021 Aug 12. pii: acc.2021.00094. doi: 10.4266/acc.2021.00094. [PubMed:34380189 ]
|
---|