Record Information |
---|
Version | 1.0 |
---|
Created at | 2021-11-12 23:53:35 UTC |
---|
Updated at | 2021-11-26 17:46:06 UTC |
---|
NP-MRD ID | NP0044161 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Ganoboninketal G |
---|
Description | Ganoboninone G belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Ganoboninketal G is found in Ganoderma orbiforme. It was first documented in 2021 (PMID: 34758547). Based on a literature review a significant number of articles have been published on Ganoboninone G (PMID: 34758515) (PMID: 34758506) (PMID: 34758505) (PMID: 34758497). |
---|
Structure | [H][C@]12CC[C@@]3(C)C4=C(C(=O)C[C@]13CO[C@]2(C)CCC(=O)CC)[C@@](C)(CCC(O)=O)[C@@]([H])(CC4=O)C(C)=C InChI=1S/C29H40O6/c1-7-18(30)8-13-28(6)22-9-12-27(5)25-20(31)14-19(17(2)3)26(4,11-10-23(33)34)24(25)21(32)15-29(22,27)16-35-28/h19,22H,2,7-16H2,1,3-6H3,(H,33,34)/t19-,22+,26-,27-,28+,29-/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C29H40O6 |
---|
Average Mass | 484.6330 Da |
---|
Monoisotopic Mass | 484.28249 Da |
---|
IUPAC Name | 3-[(1S,5S,6S,10R,13S,14R)-5,10,14-trimethyl-3,8-dioxo-14-(3-oxopentyl)-6-(prop-1-en-2-yl)-15-oxatetracyclo[8.6.0.0^{1,13}.0^{4,9}]hexadec-4(9)-en-5-yl]propanoic acid |
---|
Traditional Name | 3-[(1S,5S,6S,10R,13S,14R)-5,10,14-trimethyl-3,8-dioxo-14-(3-oxopentyl)-6-(prop-1-en-2-yl)-15-oxatetracyclo[8.6.0.0^{1,13}.0^{4,9}]hexadec-4(9)-en-5-yl]propanoic acid |
---|
CAS Registry Number | Not Available |
---|
SMILES | [H][C@]12CC[C@@]3(C)C4=C(C(=O)C[C@]13CO[C@]2(C)CCC(=O)CC)[C@@](C)(CCC(O)=O)[C@@]([H])(CC4=O)C(C)=C |
---|
InChI Identifier | InChI=1S/C29H40O6/c1-7-18(30)8-13-28(6)22-9-12-27(5)25-20(31)14-19(17(2)3)26(4,11-10-23(33)34)24(25)21(32)15-29(22,27)16-35-28/h19,22H,2,7-16H2,1,3-6H3,(H,33,34)/t19-,22+,26-,27-,28+,29-/m0/s1 |
---|
InChI Key | DBBIGSFTALEARQ-ZZGYNKHGSA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | 13C NMR Spectrum (1D, 50 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 250 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 175 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 225 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 125 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 25 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, Chloroform-d, 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 | |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Prenol lipids |
---|
Sub Class | Sesquiterpenoids |
---|
Direct Parent | Sesquiterpenoids |
---|
Alternative Parents | |
---|
Substituents | - Sesquiterpenoid
- Carbocyclic fatty acid
- Cyclohexenone
- Fatty acyl
- Tetrahydrofuran
- Ketone
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Ether
- Dialkyl ether
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic heteropolycyclic compound
|
---|
Molecular Framework | Aliphatic 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 | - Sun Y, Wang DM, Yu H, Liu C, Ji TY, Wang S, Wu Y, Liu XY, Jiang YW, Cai LX, Liu QZ: [The screening of potential biological markers of seizure onset zone in focal cortical dysplasia based on bioinformatics analysis]. Zhonghua Yi Xue Za Zhi. 2021 Nov 9;101(41):3422-3426. doi: 10.3760/cma.j.cn112137-20210331-00779. [PubMed:34758547 ]
- Torgersen CE, Le Pichon C, Fullerton AH, Dugdale SJ, Duda JJ, Giovannini F, Tales E, Belliard J, Branco P, Bergeron NE, Roy ML, Tonolla D, Lamouroux N, Capra H, Baxter CV: Riverscape approaches in practice: perspectives and applications. Biol Rev Camb Philos Soc. 2021 Nov 10. doi: 10.1111/brv.12810. [PubMed:34758515 ]
- Meinert N, Busch S, Swart E: [Health and Social Status in Hamburg's Urban Quarters - An Approach to Mapping Social Status with Health-Related Routine Data]. Gesundheitswesen. 2021 Nov;83(S 02):S113-S121. doi: 10.1055/a-1658-0526. Epub 2021 Nov 10. [PubMed:34758506 ]
- Koster I, Mehl C, Siegel A, Graf E, Stelzer D, Farin-Glattacker E, Geraedts M, Schubert I: [Operationalization of Quality Indicators with Routine Data Using the Example of the Evaluation of "Integrated Care Healthy Kinzigtal"]. Gesundheitswesen. 2021 Nov;83(S 02):S87-S96. doi: 10.1055/a-1585-1735. Epub 2021 Nov 10. [PubMed:34758505 ]
- Palatnik A, Harrison RK, Thakkar MY, Walker RJ, Egede LE: Correlates of Insulin Selection as a First-Line Pharmacological Treatment for Gestational Diabetes. Am J Perinatol. 2022 Jan;39(1):8-15. doi: 10.1055/s-0041-1739266. Epub 2021 Nov 10. [PubMed:34758497 ]
- Wei Li et al. (2018). Isolation of 3,4-seco-27-norlanostane triterpenoids from cultivated fruiting bodies of Ganoderma orbiforme. Phytochemistry Letters 28:104-109, 2018. DOI: 10.1016/j.phytol.2018.09.017. Phytochemistry Letters.
|
---|