Record Information |
---|
Version | 1.0 |
---|
Created at | 2021-11-12 23:53:38 UTC |
---|
Updated at | 2021-11-26 17:46:07 UTC |
---|
NP-MRD ID | NP0044162 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | 3-acetylganodermadiol |
---|
Description | 3-Acetyl-ganodermadiol belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. It was first documented in 2020 (PMID: 34756847). Based on a literature review a significant number of articles have been published on 3-acetyl-ganodermadiol (PMID: 34758541) (PMID: 34758536) (PMID: 34758537) (PMID: 34758548) (PMID: 34758547) (PMID: 34758546). |
---|
Structure | [H][C@@]1(CC[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)[C@H](C)CC\C=C(/C)CO InChI=1S/C32H50O3/c1-21(20-33)10-9-11-22(2)24-14-18-32(8)26-12-13-27-29(4,5)28(35-23(3)34)16-17-30(27,6)25(26)15-19-31(24,32)7/h10,12,15,22,24,27-28,33H,9,11,13-14,16-20H2,1-8H3/b21-10+/t22-,24-,27+,28+,30-,31-,32+/m1/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C32H50O3 |
---|
Average Mass | 482.7490 Da |
---|
Monoisotopic Mass | 482.37600 Da |
---|
IUPAC Name | (2S,5S,7R,11R,14R,15R)-14-[(2R,5E)-7-hydroxy-6-methylhept-5-en-2-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),9-dien-5-yl acetate |
---|
Traditional Name | (2S,5S,7R,11R,14R,15R)-14-[(2R,5E)-7-hydroxy-6-methylhept-5-en-2-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),9-dien-5-yl acetate |
---|
CAS Registry Number | Not Available |
---|
SMILES | [H][C@@]1(CC[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)[C@H](C)CC\C=C(/C)CO |
---|
InChI Identifier | InChI=1S/C32H50O3/c1-21(20-33)10-9-11-22(2)24-14-18-32(8)26-12-13-27-29(4,5)28(35-23(3)34)16-17-30(27,6)25(26)15-19-31(24,32)7/h10,12,15,22,24,27-28,33H,9,11,13-14,16-20H2,1-8H3/b21-10+/t22-,24-,27+,28+,30-,31-,32+/m1/s1 |
---|
InChI Key | XZPGUQWQPJEACY-UIAQYYJJSA-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 | Ganoderma hainanense |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Prenol lipids |
---|
Sub Class | Triterpenoids |
---|
Direct Parent | Triterpenoids |
---|
Alternative Parents | |
---|
Substituents | - Triterpenoid
- 26-hydroxysteroid
- Cholane-skeleton
- Monohydroxy bile acid, alcohol, or derivatives
- Hydroxy bile acid, alcohol, or derivatives
- Bile acid, alcohol, or derivatives
- Steroid ester
- 14-alpha-methylsteroid
- Steroid
- Delta-7-steroid
- Fatty alcohol
- Fatty acyl
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Carbonyl group
- Alcohol
- Aliphatic homopolycyclic compound
|
---|
Molecular Framework | Aliphatic homopolycyclic 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 | - Dai Y, Wang YH, An Y, Lu C, Zhang HH, Fan XT, Wei PH, Ren LK, Shan YZ, Zhao GG: [Observation of efficacy and safety of stereotactic-EEG-guided three-dimensional radiofrequency thermocoagulation for the treatment of drug-resistant insular epilepsy]. Zhonghua Yi Xue Za Zhi. 2021 Nov 9;101(41):3386-3392. doi: 10.3760/cma.j.cn112137-20210505-01057. [PubMed:34758541 ]
- Ren SQ, Wei Y, Wang YQ, Ou Y, Wang Q, Feng HL, Luo C, Nie Y, Lyu Q, Fan SD, Zhou F, Chen ZJ, Zhong S, Tian JZ, Wang D: [Comparison of single incision robot-assisted laparoscopic radical prostatectomy with and without extraperitoneal special channel device]. Zhonghua Yi Xue Za Zhi. 2021 Nov 2;101(40):3345-3350. doi: 10.3760/cma.j.cn112137-20210303-00545. [PubMed:34758536 ]
- Xi WW, Cao L, Huo HL, Wang CC, Wu J, Zhang JJ: [Clinical analysis of two brothers with Imerslund-Grasbeck syndrome]. Zhonghua Yi Xue Za Zhi. 2021 Nov 2;101(40):3351-3354. doi: 10.3760/cma.j.cn112137-20210709-01537. [PubMed:34758537 ]
- McDonagh MS, Wagner J, Ahmed AY, Morasco B, Kansagara D, Chou R: Living Systematic Review on Cannabis and Other Plant-Based Treatments for Chronic Pain - Quarterly Progress Report/Addendum: September 2021. 2020 Dec. [PubMed:34756847 ]
- Zhang WB, Yang QB, Wu SF, Lu SH, Cheng M, Sheng Y, Zhang QC, Yang LF, Yu L, Yan SX: [Application of diffusion-weighted magnetic resonance imaging in evaluating the efficacy of radiotherapy and chemotherapy for esophageal cancer]. Zhonghua Yi Xue Za Zhi. 2021 Nov 9;101(41):3427-3430. doi: 10.3760/cma.j.cn112137-20210709-01544. [PubMed:34758548 ]
- 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 ]
- Dong HH, Cai YS, Liang XN, Miao JB, Chen QS, Gao YD, Li H: [Analysis of incidence and risk factors for postoperative venous thromboembolism in patients with stage a non-small-cell lung cancer]. Zhonghua Yi Xue Za Zhi. 2021 Nov 9;101(41):3417-3421. doi: 10.3760/cma.j.cn112137-20210418-00929. [PubMed:34758546 ]
- Chai YR, Gao JB, Lyu PJ, Liang P, Xing JJ, Liu J: [Comparative study of CT relative enhancement value and subjective visual evaluation for intestinal ischemia in patients with closed loop obstruction]. Zhonghua Yi Xue Za Zhi. 2021 Nov 9;101(41):3411-3416. doi: 10.3760/cma.j.cn112137-20210328-00756. [PubMed:34758545 ]
- Yang B, Zhao JL, Huang ZC, Su ZZ, Li MT, Zeng XF, Hu CJ: [Value of IgA antiphospholipid antibodies in diagnosis of the antiphospholipid syndrome]. Zhonghua Yi Xue Za Zhi. 2021 Nov 9;101(41):3404-3410. doi: 10.3760/cma.j.cn112137-20210424-00976. [PubMed:34758544 ]
- Liu Z, Zhou J, Guan YG, Zhai F, Wang MY, Wang J, Zhao M, Wang XF, Zhang Y, Teng PF, Luan GM: [Clinical characteristics, surgical treatment and prognosis of rolandic and perirolandic drug-resistant epilepsies]. Zhonghua Yi Xue Za Zhi. 2021 Nov 9;101(41):3380-3385. doi: 10.3760/cma.j.cn112137-20210729-01691. [PubMed:34758540 ]
- Chen SC, Wang YH, Fan XT, Wei PH, Ren LK, Shan YZ, Zhao GG: [Safety and short-term efficacy of domestic magnetic resonance-guided laser interstitial thermotherapy in the treatment of drug-resistant epilepsy]. Zhonghua Yi Xue Za Zhi. 2021 Nov 9;101(41):3399-3403. doi: 10.3760/cma.j.cn112137-20210501-01046. [PubMed:34758543 ]
- Guo Q, Tan HP, Chen J, Chen MB, Zhang LM, Zhang W, Zheng YL, Tang XW, Zhu D: [Efficacy and safety of conformal thermocoagulation guided by stereotactic electroencephalogram in the treatment of epilepsy caused by focal cortical dysplasia in eloquent cortex]. Zhonghua Yi Xue Za Zhi. 2021 Nov 9;101(41):3393-3398. doi: 10.3760/cma.j.cn112137-20210418-00927. [PubMed:34758542 ]
- Tang B, Cui N: [Several key points that need to be concerned in the clinical application of ceftazidime/avibactam]. Zhonghua Yi Xue Za Zhi. 2021 Nov 9;101(41):3365-3370. doi: 10.3760/cma.j.cn112137-20210531-01240. [PubMed:34758539 ]
- Zhao GG: [Epilepsy precision treatment towards brain-networks oriented epilepsy surgery]. Zhonghua Yi Xue Za Zhi. 2021 Nov 9;101(41):3361-3364. doi: 10.3760/cma.j.cn112137-20210521-01180. [PubMed:34758538 ]
- Peng YG, Wu ZH, Yan RH, Peng XX: [Establishment of reference interval of vitamin A for Chinese children and adolescents based on expectation-maximization algorithm]. Zhonghua Yi Xue Za Zhi. 2021 Nov 2;101(40):3338-3344. doi: 10.3760/cma.j.cn112137-20210728-01671. [PubMed:34758535 ]
- Liefeng Ma et al. (2019). Bioassay-guided isolation of lanostane-type triterpenoids as α-glucosidase inhibitors from Ganoderma hainanense. Phytochemistry Letters 29:154-159, February 2019. DOI: 10.1016/j.phytol.2018.12.007. Phytochemistry Letters.
|
---|